2-amino-1-(4-phenylazepan-1-yl)pentan-1-one

C17H26N2O — CID 119316138

IUPAC2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-7-16(18)17(20)19-12-6-10-15(11-13-19)14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13,18H2,1H3
InChIKeySCLGGEYEMBQTSC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.91
Rot. Bonds4

About 2-amino-1-(4-phenylazepan-1-yl)pentan-1-one

2-amino-1-(4-phenylazepan-1-yl)pentan-1-one (PubChem CID 119316138) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-1-(4-phenylazepan-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
PubChem CID119316138
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-7-16(18)17(20)19-12-6-10-15(11-13-19)14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13,18H2,1H3
InChIKeySCLGGEYEMBQTSC-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
(2S)-2-amino-4-methyl-1-(4-phenylazepan-1-yl)pentan-1-one;hydrochloride
CID 119770865
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 81088436
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119304911
2-amino-1-(4-tert-butylazepan-1-yl)pentan-1-one;hydrochloride
CID 119326049

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-phenylazepan-1-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(4-phenylazepan-1-yl)pentan-1-one (CID 119316138) is 2-amino-1-(4-phenylazepan-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(4-phenylazepan-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(4-phenylazepan-1-yl)pentan-1-one is CCCC(N)C(=O)N1CCCC(c2ccccc2)CC1.
What is the InChIKey of 2-amino-1-(4-phenylazepan-1-yl)pentan-1-one?
The InChIKey is SCLGGEYEMBQTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-7-16(18)17(20)19-12-6-10-15(11-13-19)14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13,18H2,1H3.
What are the key properties of 2-amino-1-(4-phenylazepan-1-yl)pentan-1-one?
2-amino-1-(4-phenylazepan-1-yl)pentan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-phenylazepan-1-yl)pentan-1-one is sourced from PubChem (CID 119316138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).