2-cyclopropyl-2-(4-ethylphenyl)azepane

C17H25N — CID 79119281

IUPAC2-cyclopropyl-2-(4-ethylphenyl)azepane
SMILESCCc1ccc(C2(C3CC3)CCCCCN2)cc1
InChIInChI=1S/C17H25N/c1-2-14-6-8-15(9-7-14)17(16-10-11-16)12-4-3-5-13-18-17/h6-9,16,18H,2-5,10-13H2,1H3
InChIKeyHRYBZALCCQRJGJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.02
Rot. Bonds3

About 2-cyclopropyl-2-(4-ethylphenyl)azepane

2-cyclopropyl-2-(4-ethylphenyl)azepane (PubChem CID 79119281) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-ethylphenyl)azepane.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-ethylphenyl)azepane
PubChem CID79119281
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-cyclopropyl-2-(4-ethylphenyl)azepane
SMILESCCc1ccc(C2(C3CC3)CCCCCN2)cc1
InChIInChI=1S/C17H25N/c1-2-14-6-8-15(9-7-14)17(16-10-11-16)12-4-3-5-13-18-17/h6-9,16,18H,2-5,10-13H2,1H3
InChIKeyHRYBZALCCQRJGJ-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-ethylphenyl)azepane?
The IUPAC name of 2-cyclopropyl-2-(4-ethylphenyl)azepane (CID 79119281) is 2-cyclopropyl-2-(4-ethylphenyl)azepane.
What is the SMILES notation for 2-cyclopropyl-2-(4-ethylphenyl)azepane?
The canonical SMILES for 2-cyclopropyl-2-(4-ethylphenyl)azepane is CCc1ccc(C2(C3CC3)CCCCCN2)cc1.
What is the InChIKey of 2-cyclopropyl-2-(4-ethylphenyl)azepane?
The InChIKey is HRYBZALCCQRJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-14-6-8-15(9-7-14)17(16-10-11-16)12-4-3-5-13-18-17/h6-9,16,18H,2-5,10-13H2,1H3.
What are the key properties of 2-cyclopropyl-2-(4-ethylphenyl)azepane?
2-cyclopropyl-2-(4-ethylphenyl)azepane has a molecular weight of 243.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-ethylphenyl)azepane is sourced from PubChem (CID 79119281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).