(6S)-6,9-diamino-1-phenylnonan-4-one

C15H24N2O — CID 157262351

IUPAC(6S)-6,9-diamino-1-phenylnonan-4-one
SMILESNCCC[C@H](N)CC(=O)CCCc1ccccc1
InChIInChI=1S/C15H24N2O/c16-11-5-9-14(17)12-15(18)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,16-17H2/t14-/m0/s1
InChIKeyAXPJVNRXJOJETA-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.03
Rot. Bonds9

About (6S)-6,9-diamino-1-phenylnonan-4-one

(6S)-6,9-diamino-1-phenylnonan-4-one (PubChem CID 157262351) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (6S)-6,9-diamino-1-phenylnonan-4-one.

Molecular Properties

Compound Name(6S)-6,9-diamino-1-phenylnonan-4-one
PubChem CID157262351
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(6S)-6,9-diamino-1-phenylnonan-4-one
SMILESNCCC[C@H](N)CC(=O)CCCc1ccccc1
InChIInChI=1S/C15H24N2O/c16-11-5-9-14(17)12-15(18)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,16-17H2/t14-/m0/s1
InChIKeyAXPJVNRXJOJETA-AWEZNQCLSA-N
XLogP2.03
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-amino-1-phenyloctan-4-one
CID 116571907
7-phenylheptane-1,4-diamine
CID 174860311
1-amino-1,6-diphenylhexan-3-one
CID 116552978
6-phenylhexane-1,4-diamine
CID 23163544
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
1,9-diphenylnonan-5-one
CID 23467830
carbamic acid;4-phenylbutane-1,2-diamine
CID 70126726
13-phenyltridecan-1-amine
CID 19801439
[2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate
CID 71612733
benzene;3-phenylpropan-1-amine
CID 174865683
(2S)-2-amino-5-phenylpentane-1-thiol
CID 87877101
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771

Frequently Asked Questions

What is the IUPAC name of (6S)-6,9-diamino-1-phenylnonan-4-one?
The IUPAC name of (6S)-6,9-diamino-1-phenylnonan-4-one (CID 157262351) is (6S)-6,9-diamino-1-phenylnonan-4-one.
What is the SMILES notation for (6S)-6,9-diamino-1-phenylnonan-4-one?
The canonical SMILES for (6S)-6,9-diamino-1-phenylnonan-4-one is NCCC[C@H](N)CC(=O)CCCc1ccccc1.
What is the InChIKey of (6S)-6,9-diamino-1-phenylnonan-4-one?
The InChIKey is AXPJVNRXJOJETA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c16-11-5-9-14(17)12-15(18)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,16-17H2/t14-/m0/s1.
What are the key properties of (6S)-6,9-diamino-1-phenylnonan-4-one?
(6S)-6,9-diamino-1-phenylnonan-4-one has a molecular weight of 248.37 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,9-diamino-1-phenylnonan-4-one is sourced from PubChem (CID 157262351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).