3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol

C15H29NO — CID 113263610

IUPAC3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCCC(NCC2CCCC(O)C2)C1
InChIInChI=1S/C15H29NO/c1-15(2)8-4-6-13(10-15)16-11-12-5-3-7-14(17)9-12/h12-14,16-17H,3-11H2,1-2H3
InChIKeyRGWVGKIUFUBCDW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds3

About 3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol

3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol (PubChem CID 113263610) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
PubChem CID113263610
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCCC(NCC2CCCC(O)C2)C1
InChIInChI=1S/C15H29NO/c1-15(2)8-4-6-13(10-15)16-11-12-5-3-7-14(17)9-12/h12-14,16-17H,3-11H2,1-2H3
InChIKeyRGWVGKIUFUBCDW-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(3,3-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

(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
3,3-dimethyl-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107411686
3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 130693816
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol
CID 114146190
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
3-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 115654559
3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 80705483
3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 104844751

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol (CID 113263610) is 3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol is CC1(C)CCCC(NCC2CCCC(O)C2)C1.
What is the InChIKey of 3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is RGWVGKIUFUBCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2)8-4-6-13(10-15)16-11-12-5-3-7-14(17)9-12/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 113263610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).