7-amino-1-(2-phenylazepan-1-yl)heptan-1-one

C19H30N2O — CID 119737777

IUPAC7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
SMILESNCCCCCCC(=O)N1CCCCCC1c1ccccc1
InChIInChI=1S/C19H30N2O/c20-15-9-2-1-8-14-19(22)21-16-10-4-7-13-18(21)17-11-5-3-6-12-17/h3,5-6,11-12,18H,1-2,4,7-10,13-16,20H2
InChIKeyPQMWQIQCLMENNP-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.04
Rot. Bonds7

About 7-amino-1-(2-phenylazepan-1-yl)heptan-1-one

7-amino-1-(2-phenylazepan-1-yl)heptan-1-one (PubChem CID 119737777) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 7-amino-1-(2-phenylazepan-1-yl)heptan-1-one.

Molecular Properties

Compound Name7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
PubChem CID119737777
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
SMILESNCCCCCCC(=O)N1CCCCCC1c1ccccc1
InChIInChI=1S/C19H30N2O/c20-15-9-2-1-8-14-19(22)21-16-10-4-7-13-18(21)17-11-5-3-6-12-17/h3,5-6,11-12,18H,1-2,4,7-10,13-16,20H2
InChIKeyPQMWQIQCLMENNP-UHFFFAOYSA-N
XLogP4.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
7-amino-1-[2-(4-methoxyphenyl)azepan-1-yl]heptan-1-one
CID 119695933
7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119810095
5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 79199360
4-amino-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 119328740
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
CID 60936893
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one;hydrochloride
CID 166174195
7-amino-1-(3-phenylthiomorpholin-4-yl)heptan-1-one
CID 119708915
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
3-(2-aminophenyl)-1-(2-phenylazepan-1-yl)propan-1-one
CID 120609446
7-amino-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 119770964

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(2-phenylazepan-1-yl)heptan-1-one?
The IUPAC name of 7-amino-1-(2-phenylazepan-1-yl)heptan-1-one (CID 119737777) is 7-amino-1-(2-phenylazepan-1-yl)heptan-1-one.
What is the SMILES notation for 7-amino-1-(2-phenylazepan-1-yl)heptan-1-one?
The canonical SMILES for 7-amino-1-(2-phenylazepan-1-yl)heptan-1-one is NCCCCCCC(=O)N1CCCCCC1c1ccccc1.
What is the InChIKey of 7-amino-1-(2-phenylazepan-1-yl)heptan-1-one?
The InChIKey is PQMWQIQCLMENNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c20-15-9-2-1-8-14-19(22)21-16-10-4-7-13-18(21)17-11-5-3-6-12-17/h3,5-6,11-12,18H,1-2,4,7-10,13-16,20H2.
What are the key properties of 7-amino-1-(2-phenylazepan-1-yl)heptan-1-one?
7-amino-1-(2-phenylazepan-1-yl)heptan-1-one has a molecular weight of 302.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(2-phenylazepan-1-yl)heptan-1-one is sourced from PubChem (CID 119737777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).