2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone

C14H27N3O — CID 64685550

IUPAC2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCN1CCCN(C(=O)CC2(N)CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-8-5-9-17(11-10-16)13(18)12-14(15)6-3-2-4-7-14/h2-12,15H2,1H3
InChIKeyGRNBUNSRYGBPRI-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.20
Rot. Bonds2

About 2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone

2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone (PubChem CID 64685550) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
PubChem CID64685550
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCN1CCCN(C(=O)CC2(N)CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-8-5-9-17(11-10-16)13(18)12-14(15)6-3-2-4-7-14/h2-12,15H2,1H3
InChIKeyGRNBUNSRYGBPRI-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)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

1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235035
2-(1-aminocyclopentyl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 114083427
2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81167943
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 39036127
3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid
CID 64677360
2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103495472
2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone
CID 175786218
2-(4-amino-1-methylazepan-4-yl)acetamide
CID 83846985

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone (CID 64685550) is 2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone is CN1CCCN(C(=O)CC2(N)CCCCC2)CC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The InChIKey is GRNBUNSRYGBPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-8-5-9-17(11-10-16)13(18)12-14(15)6-3-2-4-7-14/h2-12,15H2,1H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 64685550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).