2-cyclohexyl-2-cyclopropylazepine

C15H21N — CID 174055177

IUPAC2-cyclohexyl-2-cyclopropylazepine
SMILESC1=CC=NC(C2CCCCC2)(C2CC2)C=C1
InChIInChI=1S/C15H21N/c1-3-7-13(8-4-1)15(14-9-10-14)11-5-2-6-12-16-15/h2,5-6,11-14H,1,3-4,7-10H2
InChIKeyYPMZTINDCWKFKD-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.91
Rot. Bonds2

About 2-cyclohexyl-2-cyclopropylazepine

2-cyclohexyl-2-cyclopropylazepine (PubChem CID 174055177) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-cyclopropylazepine.

Molecular Properties

Compound Name2-cyclohexyl-2-cyclopropylazepine
PubChem CID174055177
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-cyclohexyl-2-cyclopropylazepine
SMILESC1=CC=NC(C2CCCCC2)(C2CC2)C=C1
InChIInChI=1S/C15H21N/c1-3-7-13(8-4-1)15(14-9-10-14)11-5-2-6-12-16-15/h2,5-6,11-14H,1,3-4,7-10H2
InChIKeyYPMZTINDCWKFKD-UHFFFAOYSA-N
XLogP3.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-cyclopropylazepine?
The IUPAC name of 2-cyclohexyl-2-cyclopropylazepine (CID 174055177) is 2-cyclohexyl-2-cyclopropylazepine.
What is the SMILES notation for 2-cyclohexyl-2-cyclopropylazepine?
The canonical SMILES for 2-cyclohexyl-2-cyclopropylazepine is C1=CC=NC(C2CCCCC2)(C2CC2)C=C1.
What is the InChIKey of 2-cyclohexyl-2-cyclopropylazepine?
The InChIKey is YPMZTINDCWKFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-7-13(8-4-1)15(14-9-10-14)11-5-2-6-12-16-15/h2,5-6,11-14H,1,3-4,7-10H2.
What are the key properties of 2-cyclohexyl-2-cyclopropylazepine?
2-cyclohexyl-2-cyclopropylazepine has a molecular weight of 215.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-cyclopropylazepine is sourced from PubChem (CID 174055177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).