2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol

C12H25NO2 — CID 115883514

IUPAC2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol
SMILESCCC1CC(C)CCC1NC(CO)CO
InChIInChI=1S/C12H25NO2/c1-3-10-6-9(2)4-5-12(10)13-11(7-14)8-15/h9-15H,3-8H2,1-2H3
InChIKeyIAVBRNLNMJVHKH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.14
Rot. Bonds5

About 2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol

2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol (PubChem CID 115883514) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol
PubChem CID115883514
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol
SMILESCCC1CC(C)CCC1NC(CO)CO
InChIInChI=1S/C12H25NO2/c1-3-10-6-9(2)4-5-12(10)13-11(7-14)8-15/h9-15H,3-8H2,1-2H3
InChIKeyIAVBRNLNMJVHKH-UHFFFAOYSA-N
XLogP1.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol 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-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol
CID 115883452
2-[[(1R,2R)-2-ethylcyclohexyl]amino]propane-1,3-diol
CID 96980456
2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 63993685
1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol
CID 115883491
2-[[(1S,2R)-2-methylcyclohexyl]amino]propane-1,3-diol
CID 96980097
2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
CID 96980281
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
1-(2,4-dimethylcyclohexyl)-3-(1-hydroxybutan-2-yl)urea
CID 111123431
1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
(2-ethyl-5-methylcyclohexyl)methanediol
CID 123561469
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
CID 115723128

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol?
The IUPAC name of 2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol (CID 115883514) is 2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol is CCC1CC(C)CCC1NC(CO)CO.
What is the InChIKey of 2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol?
The InChIKey is IAVBRNLNMJVHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-10-6-9(2)4-5-12(10)13-11(7-14)8-15/h9-15H,3-8H2,1-2H3.
What are the key properties of 2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol?
2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol has a molecular weight of 215.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol is sourced from PubChem (CID 115883514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).