2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol

C14H29NO — CID 107443281

IUPAC2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol
SMILESCCC1CCC(C(O)C(CN)C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-4-11-5-7-12(8-6-11)14(16)13(9-15)10(2)3/h10-14,16H,4-9,15H2,1-3H3
InChIKeyZKGKSCZECJCUOE-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.79
Rot. Bonds5

About 2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol

2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol (PubChem CID 107443281) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol
PubChem CID107443281
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol
SMILESCCC1CCC(C(O)C(CN)C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-4-11-5-7-12(8-6-11)14(16)13(9-15)10(2)3/h10-14,16H,4-9,15H2,1-3H3
InChIKeyZKGKSCZECJCUOE-UHFFFAOYSA-N
XLogP2.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol 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-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 65185190
2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
CID 112743634
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312537
3-amino-2-(4-ethylcyclohexyl)propan-1-ol
CID 165446079
1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 64748582
ethanamine;ethylcyclopropane
CID 70018487
cyclopropyl-(3-ethylcyclopentyl)methanol
CID 65411720
1-(3-ethylcyclopentyl)ethanamine
CID 65411210
1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane
CID 79298120
cyclooctyl-(4-ethylcyclohexyl)methanol
CID 80602985
cyclohexyl-(4-ethylcyclohexyl)methanol
CID 64749927
(4-ethylcyclohexyl)-methoxymethanol
CID 89033232

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol (CID 107443281) is 2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol is CCC1CCC(C(O)C(CN)C(C)C)CC1.
What is the InChIKey of 2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol?
The InChIKey is ZKGKSCZECJCUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-11-5-7-12(8-6-11)14(16)13(9-15)10(2)3/h10-14,16H,4-9,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol?
2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol is sourced from PubChem (CID 107443281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).