2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol

C16H31NO — CID 65282366

IUPAC2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCN(C2CC(C)(C)CCC2O)CC1
InChIInChI=1S/C16H31NO/c1-15(2)7-5-10-17(11-9-15)13-12-16(3,4)8-6-14(13)18/h13-14,18H,5-12H2,1-4H3
InChIKeyALSATKNFBKLFLU-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds1

About 2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol

2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 65282366) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol
PubChem CID65282366
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCN(C2CC(C)(C)CCC2O)CC1
InChIInChI=1S/C16H31NO/c1-15(2)7-5-10-17(11-9-15)13-12-16(3,4)8-6-14(13)18/h13-14,18H,5-12H2,1-4H3
InChIKeyALSATKNFBKLFLU-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol (CID 65282366) is 2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol is CC1(C)CCCN(C2CC(C)(C)CCC2O)CC1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is ALSATKNFBKLFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2)7-5-10-17(11-9-15)13-12-16(3,4)8-6-14(13)18/h13-14,18H,5-12H2,1-4H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol?
2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65282366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).