2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone

C16H31N3O — CID 79115346

IUPAC2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCN(CC(=O)N1CCC(C)CC1)C1CCC(N)CC1
InChIInChI=1S/C16H31N3O/c1-3-18(15-6-4-14(17)5-7-15)12-16(20)19-10-8-13(2)9-11-19/h13-15H,3-12,17H2,1-2H3
InChIKeySHZSIAWYRYGTAI-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.84
Rot. Bonds4

About 2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone

2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 79115346) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID79115346
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCN(CC(=O)N1CCC(C)CC1)C1CCC(N)CC1
InChIInChI=1S/C16H31N3O/c1-3-18(15-6-4-14(17)5-7-15)12-16(20)19-10-8-13(2)9-11-19/h13-15H,3-12,17H2,1-2H3
InChIKeySHZSIAWYRYGTAI-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-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

2-[(4-aminocyclohexyl)-ethylamino]-1-piperidin-1-ylethanone
CID 79115964
2-[(4-aminocyclohexyl)-ethylamino]-1-(2-methylmorpholin-4-yl)ethanone
CID 79116387
N-(4-aminocyclohexyl)-4-methyl-N-propylpiperidine-1-carboxamide
CID 79162762
1-[2-[(4-aminocyclohexyl)-ethylamino]acetyl]pyrrolidin-2-one
CID 79116132
N-cyclobutyl-N-[(4S)-1-[2-[cyclopropyl(ethyl)amino]acetyl]azepan-4-yl]methanesulfonamide
CID 129333764
3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone
CID 39259440
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea
CID 141119386
1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 55203821
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 79121016

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone (CID 79115346) is 2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone is CCN(CC(=O)N1CCC(C)CC1)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is SHZSIAWYRYGTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-18(15-6-4-14(17)5-7-15)12-16(20)19-10-8-13(2)9-11-19/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 79115346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).