2-cyclopropyl-2-(3-methylcyclohexyl)azepane

C16H29N — CID 79117657

IUPAC2-cyclopropyl-2-(3-methylcyclohexyl)azepane
SMILESCC1CCCC(C2(C3CC3)CCCCCN2)C1
InChIInChI=1S/C16H29N/c1-13-6-5-7-15(12-13)16(14-8-9-14)10-3-2-4-11-17-16/h13-15,17H,2-12H2,1H3
InChIKeyZCQKSYSKHKCSKP-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.13
Rot. Bonds2

About 2-cyclopropyl-2-(3-methylcyclohexyl)azepane

2-cyclopropyl-2-(3-methylcyclohexyl)azepane (PubChem CID 79117657) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-methylcyclohexyl)azepane.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-methylcyclohexyl)azepane
PubChem CID79117657
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2-cyclopropyl-2-(3-methylcyclohexyl)azepane
SMILESCC1CCCC(C2(C3CC3)CCCCCN2)C1
InChIInChI=1S/C16H29N/c1-13-6-5-7-15(12-13)16(14-8-9-14)10-3-2-4-11-17-16/h13-15,17H,2-12H2,1H3
InChIKeyZCQKSYSKHKCSKP-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dicyclopropylpyrrolidine
CID 66466042
2,2-di(cyclobutyl)azetidine
CID 130529151
1,2,2a,3,4,4a,5,6,7,8-decahydroindeno[7a,1-b]azete
CID 144979042
2,2-dicyclohexylpiperazine
CID 91103537
2-(4-methylcyclohexyl)-2-propan-2-ylazepane
CID 79118380
2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile
CID 101485758
7-(3-methylcyclohexyl)bicyclo[4.1.0]heptan-7-amine
CID 79331390
2-(3,5-dimethylcyclohexyl)-2-propylazepane
CID 79118559
(1R)-1,3-dimethylcyclohexane
CID 12594306
cyclooctane;methylcyclobutane
CID 159456217
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
[1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane
CID 173197514

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-methylcyclohexyl)azepane?
The IUPAC name of 2-cyclopropyl-2-(3-methylcyclohexyl)azepane (CID 79117657) is 2-cyclopropyl-2-(3-methylcyclohexyl)azepane.
What is the SMILES notation for 2-cyclopropyl-2-(3-methylcyclohexyl)azepane?
The canonical SMILES for 2-cyclopropyl-2-(3-methylcyclohexyl)azepane is CC1CCCC(C2(C3CC3)CCCCCN2)C1.
What is the InChIKey of 2-cyclopropyl-2-(3-methylcyclohexyl)azepane?
The InChIKey is ZCQKSYSKHKCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-13-6-5-7-15(12-13)16(14-8-9-14)10-3-2-4-11-17-16/h13-15,17H,2-12H2,1H3.
What are the key properties of 2-cyclopropyl-2-(3-methylcyclohexyl)azepane?
2-cyclopropyl-2-(3-methylcyclohexyl)azepane has a molecular weight of 235.41 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-methylcyclohexyl)azepane is sourced from PubChem (CID 79117657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).