Free Chemical Databases
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[Synonyms]
NSC128244
[Structure]
[ Properties Computed from Structure]
Molecular Weight 145.24256 [g/mol] Molecular Formula C8H19NO XLogP 1.2 H-Bond Donor 2 H-Bond Acceptor 2 Rotatable Bond Count 5 Exact Mass 145.146664 MonoIsotopic Mass 145.146664 Topological Polar Surface Area 32.3 Heavy Atom Count 10 Formal Charge 0 Complexity 71.7 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-(pentan-3-ylamino)propan-2-ol
Canonical SMILES: CCC(CC)NCC(C)O
InChI: InChI=1/C8H19NO/c1-4-8(5-2)9-6-7(3)10/h7-10H,4-6H2,1-3H3
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