2-(3,5-dimethylcyclohexyl)-2-propylazepane

C17H33N — CID 79118559

IUPAC2-(3,5-dimethylcyclohexyl)-2-propylazepane
SMILESCCCC1(C2CC(C)CC(C)C2)CCCCCN1
InChIInChI=1S/C17H33N/c1-4-8-17(9-6-5-7-10-18-17)16-12-14(2)11-15(3)13-16/h14-16,18H,4-13H2,1-3H3
InChIKeyNHEDHSQINUJDRT-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds3

About 2-(3,5-dimethylcyclohexyl)-2-propylazepane

2-(3,5-dimethylcyclohexyl)-2-propylazepane (PubChem CID 79118559) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)-2-propylazepane.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)-2-propylazepane
PubChem CID79118559
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-(3,5-dimethylcyclohexyl)-2-propylazepane
SMILESCCCC1(C2CC(C)CC(C)C2)CCCCCN1
InChIInChI=1S/C17H33N/c1-4-8-17(9-6-5-7-10-18-17)16-12-14(2)11-15(3)13-16/h14-16,18H,4-13H2,1-3H3
InChIKeyNHEDHSQINUJDRT-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-2-propylazepane
CID 79118759
2-cyclohexyl-2-propylazepane
CID 79119253
2-cyclopentyl-2-propylpyrrolidine
CID 66466252
2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine
CID 66467218
2-cyclopropyl-2-(4,4,4-trifluorobutyl)azepane
CID 113327133
2-cyclopropyl-2-(2-methylpentyl)azepane
CID 79116467
2-(4-methylcyclohexyl)-2-propan-2-ylazepane
CID 79118380
2-ethenyl-2-propylazepane
CID 79116609
2-(methoxymethyl)-2-piperidin-4-ylpiperidine
CID 117271970
2-ethyl-2-(oxolan-2-yl)piperidine
CID 117271216
2-cyclopropyl-2-(3-methylcyclohexyl)azepane
CID 79117657
7a-ethyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine
CID 83680079

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)-2-propylazepane?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)-2-propylazepane (CID 79118559) is 2-(3,5-dimethylcyclohexyl)-2-propylazepane.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)-2-propylazepane?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)-2-propylazepane is CCCC1(C2CC(C)CC(C)C2)CCCCCN1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)-2-propylazepane?
The InChIKey is NHEDHSQINUJDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-8-17(9-6-5-7-10-18-17)16-12-14(2)11-15(3)13-16/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)-2-propylazepane?
2-(3,5-dimethylcyclohexyl)-2-propylazepane has a molecular weight of 251.46 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)-2-propylazepane is sourced from PubChem (CID 79118559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).