4-[(3-ethylcyclohexyl)amino]butan-2-ol

C12H25NO — CID 64910708

IUPAC4-[(3-ethylcyclohexyl)amino]butan-2-ol
SMILESCCC1CCCC(NCCC(C)O)C1
InChIInChI=1S/C12H25NO/c1-3-11-5-4-6-12(9-11)13-8-7-10(2)14/h10-14H,3-9H2,1-2H3
InChIKeyGVDDFSRAASOJSK-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds5

About 4-[(3-ethylcyclohexyl)amino]butan-2-ol

4-[(3-ethylcyclohexyl)amino]butan-2-ol (PubChem CID 64910708) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-[(3-ethylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-ethylcyclohexyl)amino]butan-2-ol
PubChem CID64910708
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-[(3-ethylcyclohexyl)amino]butan-2-ol
SMILESCCC1CCCC(NCCC(C)O)C1
InChIInChI=1S/C12H25NO/c1-3-11-5-4-6-12(9-11)13-8-7-10(2)14/h10-14H,3-9H2,1-2H3
InChIKeyGVDDFSRAASOJSK-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(3-ethylcyclohexyl)amino]butan-2-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

5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
4-(3-ethylcyclohexyl)butan-2-ol
CID 64515545
N'-butan-2-yl-N-(3-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 103698983
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186
(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol
CID 124674906
(2R)-4-[[(1S,3S)-3-methylcyclopentyl]amino]butan-2-ol
CID 96784285
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405
3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine
CID 142945001
N-ethyl-3-[(3-ethylcyclohexyl)amino]propanamide
CID 64743974
5-[(3-ethylcyclohexyl)amino]pentanoic acid
CID 103253769
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 4-[(3-ethylcyclohexyl)amino]butan-2-ol (CID 64910708) is 4-[(3-ethylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 4-[(3-ethylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 4-[(3-ethylcyclohexyl)amino]butan-2-ol is CCC1CCCC(NCCC(C)O)C1.
What is the InChIKey of 4-[(3-ethylcyclohexyl)amino]butan-2-ol?
The InChIKey is GVDDFSRAASOJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11-5-4-6-12(9-11)13-8-7-10(2)14/h10-14H,3-9H2,1-2H3.
What are the key properties of 4-[(3-ethylcyclohexyl)amino]butan-2-ol?
4-[(3-ethylcyclohexyl)amino]butan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 64910708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).