1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol

C15H29NO — CID 81314996

IUPAC1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)C1CCCCCN1
InChIInChI=1S/C15H29NO/c1-12-11-14(2,3)8-9-15(12,17)13-7-5-4-6-10-16-13/h12-13,16-17H,4-11H2,1-3H3
InChIKeyXBNDOWHPHGABHE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds1

About 1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol

1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol (PubChem CID 81314996) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol
PubChem CID81314996
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)C1CCCCCN1
InChIInChI=1S/C15H29NO/c1-12-11-14(2,3)8-9-15(12,17)13-7-5-4-6-10-16-13/h12-13,16-17H,4-11H2,1-3H3
InChIKeyXBNDOWHPHGABHE-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol
CID 65086095
2,4,4-trimethyl-1-(4-methylpiperidin-2-yl)cyclopentan-1-ol
CID 106663968
4-(azepan-2-yl)azepan-4-ol
CID 103982887
4-methyl-3-pyrrolidin-2-ylthiolan-3-ol
CID 130520182
1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol
CID 65095040
2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 81314576
(4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
CID 71362985
3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol
CID 80561124
3-amino-1-piperidin-2-ylcyclopentan-1-ol
CID 80562855
1-(azepan-2-yl)-4-propylcycloheptan-1-ol
CID 65090460
3-[(2R)-piperidin-2-yl]azetidin-3-ol
CID 89166884
4,4-dimethyl-2-piperidin-2-ylcyclohexan-1-ol
CID 79559740

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol?
The IUPAC name of 1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol (CID 81314996) is 1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol is CC1CC(C)(C)CCC1(O)C1CCCCCN1.
What is the InChIKey of 1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol?
The InChIKey is XBNDOWHPHGABHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-11-14(2,3)8-9-15(12,17)13-7-5-4-6-10-16-13/h12-13,16-17H,4-11H2,1-3H3.
What are the key properties of 1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol?
1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 81314996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).