Free Chemical Databases
-
[Synonyms]
NSC14084
[Structure]
[ Properties Computed from Structure]
Molecular Weight 444.73598 [g/mol] Molecular Formula C29H52N2O XLogP 9.2 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 19 Exact Mass 444.407964 MonoIsotopic Mass 444.407964 Topological Polar Surface Area 15.7 Heavy Atom Count 32 Formal Charge 0 Complexity 419 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 9-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N,N-dipentylnonan-1-amine
Canonical SMILES: CCCCCN(CCCCC)CCCCCCCCCN1CCCC2=C1C=CC(=C2)OC
InChI: InChI=1/C29H52N2O/c1-4-6-13-21-30(22-14-7-5-2)23-15-11-9-8-10-12-16-24-
31-25-17-18-27-26-28(32-3)19-20-29(27)31/h19-20,26H,4-18,21-25H2,1-3H3
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