[4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol

C15H29NO — CID 112753327

IUPAC[4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol
SMILESCC1CCC(NC2CCC(CO)CC2)CC1C
InChIInChI=1S/C15H29NO/c1-11-3-6-15(9-12(11)2)16-14-7-4-13(10-17)5-8-14/h11-17H,3-10H2,1-2H3
InChIKeyZWKBMLRQRGDMAF-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.95
Rot. Bonds3

About [4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol

[4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol (PubChem CID 112753327) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol
PubChem CID112753327
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol
SMILESCC1CCC(NC2CCC(CO)CC2)CC1C
InChIInChI=1S/C15H29NO/c1-11-3-6-15(9-12(11)2)16-14-7-4-13(10-17)5-8-14/h11-17H,3-10H2,1-2H3
InChIKeyZWKBMLRQRGDMAF-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

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Related Compounds

N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64747002
N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine
CID 64740887
(3,4-dimethylcyclohexyl)methanol
CID 22708626
[(1R,3S)-3,4-dimethylcyclohexyl]methanol
CID 118389064
N-(3,4-dimethylcyclohexyl)cyclooctanamine
CID 64733155
N-(3,4-dimethylcyclohexyl)oxan-4-amine
CID 64732595
N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64745242
N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine
CID 130815534
N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091389
cyclopropyl-[4-[(3,4-dimethylcyclohexyl)amino]piperidin-1-yl]methanone
CID 64746197
N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine
CID 64745426
3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol
CID 97030264

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol?
The IUPAC name of [4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol (CID 112753327) is [4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol?
The canonical SMILES for [4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol is CC1CCC(NC2CCC(CO)CC2)CC1C.
What is the InChIKey of [4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol?
The InChIKey is ZWKBMLRQRGDMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-3-6-15(9-12(11)2)16-14-7-4-13(10-17)5-8-14/h11-17H,3-10H2,1-2H3.
What are the key properties of [4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol?
[4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol 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-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 112753327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).