6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol

C15H29NO — CID 79834390

IUPAC6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol
SMILESCN(C1CCCCC1)C1CCCC(C)(C)C1O
InChIInChI=1S/C15H29NO/c1-15(2)11-7-10-13(14(15)17)16(3)12-8-5-4-6-9-12/h12-14,17H,4-11H2,1-3H3
InChIKeyLJDZYIWUCIGABR-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.19
Rot. Bonds2

About 6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol

6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79834390) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol
PubChem CID79834390
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol
SMILESCN(C1CCCCC1)C1CCCC(C)(C)C1O
InChIInChI=1S/C15H29NO/c1-15(2)11-7-10-13(14(15)17)16(3)12-8-5-4-6-9-12/h12-14,17H,4-11H2,1-3H3
InChIKeyLJDZYIWUCIGABR-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol (CID 79834390) is 6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol is CN(C1CCCCC1)C1CCCC(C)(C)C1O.
What is the InChIKey of 6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is LJDZYIWUCIGABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2)11-7-10-13(14(15)17)16(3)12-8-5-4-6-9-12/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol?
6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79834390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).