1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol

C15H29NO — CID 107408334

IUPAC1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol
SMILESCC1CC(C)CC(N2CCCC(C)(O)CC2)C1
InChIInChI=1S/C15H29NO/c1-12-9-13(2)11-14(10-12)16-7-4-5-15(3,17)6-8-16/h12-14,17H,4-11H2,1-3H3
InChIKeyDRLSZPVWYNYPLV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.05
Rot. Bonds1

About 1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol

1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol (PubChem CID 107408334) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol
PubChem CID107408334
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol
SMILESCC1CC(C)CC(N2CCCC(C)(O)CC2)C1
InChIInChI=1S/C15H29NO/c1-12-9-13(2)11-14(10-12)16-7-4-5-15(3,17)6-8-16/h12-14,17H,4-11H2,1-3H3
InChIKeyDRLSZPVWYNYPLV-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

4-methyl-1-(4-methylcyclohexyl)azepan-4-ol
CID 107408054
1-cyclopentyl-4-methylazepan-4-ol
CID 107408390
4-methyl-1-(3-methylcyclobutyl)piperidin-4-amine
CID 131134201
4-tert-butyl-4-methyl-1-(3-methylcyclobutyl)piperidine
CID 129134140
1-(2-aminocyclopentyl)-4-methylazepan-4-ol
CID 107407606
1-(3,5-dimethylcyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64729261
1-(3,5-dimethylcyclohexyl)-N-methylpiperidin-4-amine
CID 64737071
1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
2-(4-hydroxy-4-methylazepan-1-yl)cycloheptane-1-carbonitrile
CID 107404544
5-methyl-1-phosphanylazocan-5-ol
CID 137426005
1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol
CID 107408673
4-methyl-1-piperidin-4-ylpiperidin-4-ol;hydrochloride
CID 75464899

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol (CID 107408334) is 1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol is CC1CC(C)CC(N2CCCC(C)(O)CC2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol?
The InChIKey is DRLSZPVWYNYPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-9-13(2)11-14(10-12)16-7-4-5-15(3,17)6-8-16/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol?
1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-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 1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107408334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).