[2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone

C16H29NO — CID 116584644

IUPAC[2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2CCCCC2CN)CC1
InChIInChI=1S/C16H29NO/c1-2-12-7-9-13(10-8-12)16(18)15-6-4-3-5-14(15)11-17/h12-15H,2-11,17H2,1H3
InChIKeyDROZZEUNOXSMIJ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.54
Rot. Bonds4

About [2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone

[2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone (PubChem CID 116584644) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone
PubChem CID116584644
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2CCCCC2CN)CC1
InChIInChI=1S/C16H29NO/c1-2-12-7-9-13(10-8-12)16(18)15-6-4-3-5-14(15)11-17/h12-15H,2-11,17H2,1H3
InChIKeyDROZZEUNOXSMIJ-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone 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

[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone
CID 130649723
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone
CID 114975947
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
1-[2-(aminomethyl)cyclohexyl]octan-1-one
CID 116584516
(2-aminocycloheptyl)-cyclopropylmethanone
CID 116595315
2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one
CID 116560204
(2-ethylcyclohexyl)-(thiolan-3-yl)methanone
CID 105102324
1-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylpropan-1-one
CID 106736580
1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone
CID 116584345

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone (CID 116584644) is [2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)C2CCCCC2CN)CC1.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone?
The InChIKey is DROZZEUNOXSMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-12-7-9-13(10-8-12)16(18)15-6-4-3-5-14(15)11-17/h12-15H,2-11,17H2,1H3.
What are the key properties of [2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone?
[2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone has a molecular weight of 251.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 116584644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).