4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol

C18H35NO — CID 65115104

IUPAC4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CC(NCC2(O)CCC(C)(C)CC2)CC(C)(C)C1
InChIInChI=1S/C18H35NO/c1-14-10-15(12-17(4,5)11-14)19-13-18(20)8-6-16(2,3)7-9-18/h14-15,19-20H,6-13H2,1-5H3
InChIKeyRECFHSVPSDVVMS-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.12
Rot. Bonds3

About 4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol

4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65115104) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
PubChem CID65115104
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CC(NCC2(O)CCC(C)(C)CC2)CC(C)(C)C1
InChIInChI=1S/C18H35NO/c1-14-10-15(12-17(4,5)11-14)19-13-18(20)8-6-16(2,3)7-9-18/h14-15,19-20H,6-13H2,1-5H3
InChIKeyRECFHSVPSDVVMS-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol (CID 65115104) is 4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol is CC1CC(NCC2(O)CCC(C)(C)CC2)CC(C)(C)C1.
What is the InChIKey of 4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is RECFHSVPSDVVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-14-10-15(12-17(4,5)11-14)19-13-18(20)8-6-16(2,3)7-9-18/h14-15,19-20H,6-13H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 281.48 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).