2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol

C15H31NO — CID 55094767

IUPAC2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(CC)C(C)CC)C1
InChIInChI=1S/C15H31NO/c1-5-12(4)16(7-3)11-14-10-13(6-2)8-9-15(14)17/h12-15,17H,5-11H2,1-4H3
InChIKeyUTENGSCQMNINAQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.29
Rot. Bonds6

About 2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol

2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 55094767) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID55094767
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(CC)C(C)CC)C1
InChIInChI=1S/C15H31NO/c1-5-12(4)16(7-3)11-14-10-13(6-2)8-9-15(14)17/h12-15,17H,5-11H2,1-4H3
InChIKeyUTENGSCQMNINAQ-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-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

4-ethyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 62611284
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 62608874
4-ethyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82929938
2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 63488742
4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol
CID 63489076
4-ethyl-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 62611313
4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol
CID 55094394
2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
CID 63483809
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 62612029
4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol
CID 114496727
4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol
CID 79422405
2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol
CID 107900942

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 55094767) is 2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(CN(CC)C(C)CC)C1.
What is the InChIKey of 2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is UTENGSCQMNINAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-12(4)16(7-3)11-14-10-13(6-2)8-9-15(14)17/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 55094767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).