4-(benzylamino)-1-methylazepane-4-carboxamide

C15H23N3O — CID 65075475

IUPAC4-(benzylamino)-1-methylazepane-4-carboxamide
SMILESCN1CCCC(NCc2ccccc2)(C(N)=O)CC1
InChIInChI=1S/C15H23N3O/c1-18-10-5-8-15(9-11-18,14(16)19)17-12-13-6-3-2-4-7-13/h2-4,6-7,17H,5,8-12H2,1H3,(H2,16,19)
InChIKeyYAAFGCOSPJIJBU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.12
Rot. Bonds4

About 4-(benzylamino)-1-methylazepane-4-carboxamide

4-(benzylamino)-1-methylazepane-4-carboxamide (PubChem CID 65075475) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(benzylamino)-1-methylazepane-4-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-1-methylazepane-4-carboxamide
PubChem CID65075475
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(benzylamino)-1-methylazepane-4-carboxamide
SMILESCN1CCCC(NCc2ccccc2)(C(N)=O)CC1
InChIInChI=1S/C15H23N3O/c1-18-10-5-8-15(9-11-18,14(16)19)17-12-13-6-3-2-4-7-13/h2-4,6-7,17H,5,8-12H2,1H3,(H2,16,19)
InChIKeyYAAFGCOSPJIJBU-UHFFFAOYSA-N
XLogP1.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(benzylamino)-1-methylazepane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(benzylamino)-1-methylazepane-4-carboxylate
CID 65074800
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide
CID 70952142
1-(benzylamino)-4-methylcycloheptane-1-carboxamide
CID 65084787
benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate
CID 130516767
4-(benzylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65075754
1-(benzylamino)-4-propylcycloheptane-1-carboxamide
CID 65088717
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide
CID 65074848
1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide
CID 75412190
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1-methylazepane-4-carboxamide?
The IUPAC name of 4-(benzylamino)-1-methylazepane-4-carboxamide (CID 65075475) is 4-(benzylamino)-1-methylazepane-4-carboxamide.
What is the SMILES notation for 4-(benzylamino)-1-methylazepane-4-carboxamide?
The canonical SMILES for 4-(benzylamino)-1-methylazepane-4-carboxamide is CN1CCCC(NCc2ccccc2)(C(N)=O)CC1.
What is the InChIKey of 4-(benzylamino)-1-methylazepane-4-carboxamide?
The InChIKey is YAAFGCOSPJIJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-10-5-8-15(9-11-18,14(16)19)17-12-13-6-3-2-4-7-13/h2-4,6-7,17H,5,8-12H2,1H3,(H2,16,19).
What are the key properties of 4-(benzylamino)-1-methylazepane-4-carboxamide?
4-(benzylamino)-1-methylazepane-4-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1-methylazepane-4-carboxamide is sourced from PubChem (CID 65075475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).