1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone

C14H28N2O — CID 113229337

IUPAC1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone
SMILESCCCC(C)(C)NCC(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-4-9-14(2,3)15-12-13(17)16-10-7-5-6-8-11-16/h15H,4-12H2,1-3H3
InChIKeyFOFCPVRHZPVRPQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.56
Rot. Bonds5

About 1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone

1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone (PubChem CID 113229337) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone
PubChem CID113229337
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone
SMILESCCCC(C)(C)NCC(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-4-9-14(2,3)15-12-13(17)16-10-7-5-6-8-11-16/h15H,4-12H2,1-3H3
InChIKeyFOFCPVRHZPVRPQ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone 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

2-(2-methylpentan-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 115888267
1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 54948974
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide
CID 71918170
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974
1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
1-(azepan-1-yl)propan-1-one
CID 3613534

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone (CID 113229337) is 1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone is CCCC(C)(C)NCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone?
The InChIKey is FOFCPVRHZPVRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-9-14(2,3)15-12-13(17)16-10-7-5-6-8-11-16/h15H,4-12H2,1-3H3.
What are the key properties of 1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone?
1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone has a molecular weight of 240.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone is sourced from PubChem (CID 113229337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).