N-(3-aminopropyl)-N-benzylazepane-1-carboxamide

C17H27N3O — CID 107366335

IUPACN-(3-aminopropyl)-N-benzylazepane-1-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)N1CCCCCC1
InChIInChI=1S/C17H27N3O/c18-11-8-14-20(15-16-9-4-3-5-10-16)17(21)19-12-6-1-2-7-13-19/h3-5,9-10H,1-2,6-8,11-15,18H2
InChIKeyXPDQHABLNQMHKN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.83
Rot. Bonds5

About N-(3-aminopropyl)-N-benzylazepane-1-carboxamide

N-(3-aminopropyl)-N-benzylazepane-1-carboxamide (PubChem CID 107366335) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzylazepane-1-carboxamide
PubChem CID107366335
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-aminopropyl)-N-benzylazepane-1-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)N1CCCCCC1
InChIInChI=1S/C17H27N3O/c18-11-8-14-20(15-16-9-4-3-5-10-16)17(21)19-12-6-1-2-7-13-19/h3-5,9-10H,1-2,6-8,11-15,18H2
InChIKeyXPDQHABLNQMHKN-UHFFFAOYSA-N
XLogP2.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 79160812
N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120649649
2-[3-aminopropyl(benzyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107367919
N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide
CID 120648217
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120648128
N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 120648552
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679
N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide
CID 107366720
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzylazepane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzylazepane-1-carboxamide (CID 107366335) is N-(3-aminopropyl)-N-benzylazepane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzylazepane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzylazepane-1-carboxamide is NCCCN(Cc1ccccc1)C(=O)N1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-benzylazepane-1-carboxamide?
The InChIKey is XPDQHABLNQMHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-11-8-14-20(15-16-9-4-3-5-10-16)17(21)19-12-6-1-2-7-13-19/h3-5,9-10H,1-2,6-8,11-15,18H2.
What are the key properties of N-(3-aminopropyl)-N-benzylazepane-1-carboxamide?
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzylazepane-1-carboxamide is sourced from PubChem (CID 107366335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).