4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol

C15H29NO — CID 106127277

IUPAC4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(NCC2CCC(O)CC2)C(C)C1
InChIInChI=1S/C15H29NO/c1-11-3-8-15(12(2)9-11)16-10-13-4-6-14(17)7-5-13/h11-17H,3-10H2,1-2H3
InChIKeyQTXJYJUNRHVYFS-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.95
Rot. Bonds3

About 4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol

4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106127277) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
PubChem CID106127277
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(NCC2CCC(O)CC2)C(C)C1
InChIInChI=1S/C15H29NO/c1-11-3-8-15(12(2)9-11)16-10-13-4-6-14(17)7-5-13/h11-17H,3-10H2,1-2H3
InChIKeyQTXJYJUNRHVYFS-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-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

N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine
CID 131175670
trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine
CID 130624100
2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64929467
N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 104531141
2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 63995122
2-[(3-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107412781
2-[(4-methylcyclohexyl)methylamino]cyclohexan-1-ol
CID 63243394
2,4-dimethyl-N-prop-2-ynylcyclohexan-1-amine
CID 63993727
3-[[(4-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol
CID 130519953
3-[[(2-methoxycyclohexyl)amino]methyl]cyclopentan-1-ol
CID 106120710
4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 114146901
4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol
CID 64773705

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol (CID 106127277) is 4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol is CC1CCC(NCC2CCC(O)CC2)C(C)C1.
What is the InChIKey of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is QTXJYJUNRHVYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-3-8-15(12(2)9-11)16-10-13-4-6-14(17)7-5-13/h11-17H,3-10H2,1-2H3.
What are the key properties of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106127277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).