2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol

C15H29NO — CID 64753048

IUPAC2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(N2CCCCCCC2)C(O)C1
InChIInChI=1S/C15H29NO/c1-12-10-13(2)15(14(17)11-12)16-8-6-4-3-5-7-9-16/h12-15,17H,3-11H2,1-2H3
InChIKeyBJWGWLAKHMUMGJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.05
Rot. Bonds1

About 2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol

2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 64753048) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol
PubChem CID64753048
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(N2CCCCCCC2)C(O)C1
InChIInChI=1S/C15H29NO/c1-12-10-13(2)15(14(17)11-12)16-8-6-4-3-5-7-9-16/h12-15,17H,3-11H2,1-2H3
InChIKeyBJWGWLAKHMUMGJ-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64751284
2-(8-azaspiro[4.5]decan-8-yl)-3,5-dimethylcyclohexan-1-ol
CID 64750716
(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15188056
(1R,2R,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15188055
3,5-dimethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-ol
CID 81198795
2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64750705
1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine
CID 166025894
3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol
CID 64736282
3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 64752552
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
CID 64750791

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol (CID 64753048) is 2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)C(N2CCCCCCC2)C(O)C1.
What is the InChIKey of 2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is BJWGWLAKHMUMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-10-13(2)15(14(17)11-12)16-8-6-4-3-5-7-9-16/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol?
2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64753048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).