[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol

C12H25NO — CID 61050703

IUPAC[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
SMILESCCNC1(CO)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-5-13-12(9-14)7-10(2)6-11(3,4)8-12/h10,13-14H,5-9H2,1-4H3
InChIKeyDIZFZVPAHFLKPG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds3

About [1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol

[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol (PubChem CID 61050703) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
PubChem CID61050703
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
SMILESCCNC1(CO)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-5-13-12(9-14)7-10(2)6-11(3,4)8-12/h10,13-14H,5-9H2,1-4H3
InChIKeyDIZFZVPAHFLKPG-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol 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

3-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 97022779
[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 111757450
[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61055766
3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide
CID 111757470
[1-(ethylamino)-3,3-dimethylcyclopentyl]methanol
CID 80699366
1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione
CID 97238590
1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea
CID 95784243
3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 96567141
3-[2-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 96567138
[1-(ethylamino)-2,4,4-trimethylcyclopentyl]methanol
CID 106664015
[3,3,5-trimethyl-1-[3-(1-methylpyrazol-4-yl)propylamino]cyclohexyl]methanol
CID 111757457
[3-methyl-1-(methylamino)cyclobutyl]methanol;hydrochloride
CID 155895170

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol?
The IUPAC name of [1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol (CID 61050703) is [1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol.
What is the SMILES notation for [1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol?
The canonical SMILES for [1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol is CCNC1(CO)CC(C)CC(C)(C)C1.
What is the InChIKey of [1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol?
The InChIKey is DIZFZVPAHFLKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-13-12(9-14)7-10(2)6-11(3,4)8-12/h10,13-14H,5-9H2,1-4H3.
What are the key properties of [1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol?
[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol is sourced from PubChem (CID 61050703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).