2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol

C17H33NO — CID 65281648

IUPAC2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N2CCCC(C)(C)CC2)C1
InChIInChI=1S/C17H33NO/c1-13(2)14-6-7-16(19)15(12-14)18-10-5-8-17(3,4)9-11-18/h13-16,19H,5-12H2,1-4H3
InChIKeyFFGRSTLCOFWRIJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.68
Rot. Bonds2

About 2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol

2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 65281648) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID65281648
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N2CCCC(C)(C)CC2)C1
InChIInChI=1S/C17H33NO/c1-13(2)14-6-7-16(19)15(12-14)18-10-5-8-17(3,4)9-11-18/h13-16,19H,5-12H2,1-4H3
InChIKeyFFGRSTLCOFWRIJ-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62931964
2-(4-cyclopentylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62708468
2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 65282366
2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62704133
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79934726
2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62707731
2-(4,4-dimethylpiperidin-1-yl)cyclooctan-1-ol
CID 62930764
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79174564
3-(4,4-dimethylpiperidin-1-yl)-4-methylcyclohexan-1-ol
CID 165491669
2-(4,4-dimethylazepan-1-yl)cycloheptane-1-carboxylic acid
CID 65286391
N-[[2-(4,4-dimethylazepan-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81004620
trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
CID 131701520

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol (CID 65281648) is 2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(N2CCCC(C)(C)CC2)C1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is FFGRSTLCOFWRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(2)14-6-7-16(19)15(12-14)18-10-5-8-17(3,4)9-11-18/h13-16,19H,5-12H2,1-4H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol?
2-(4,4-dimethylazepan-1-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.68, 2 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-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 65281648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).