2-cyclopropyl-2-(3-propylphenyl)azepane

C18H27N — CID 116544727

IUPAC2-cyclopropyl-2-(3-propylphenyl)azepane
SMILESCCCc1cccc(C2(C3CC3)CCCCCN2)c1
InChIInChI=1S/C18H27N/c1-2-7-15-8-6-9-17(14-15)18(16-10-11-16)12-4-3-5-13-19-18/h6,8-9,14,16,19H,2-5,7,10-13H2,1H3
InChIKeyZASATPNJEPPUFK-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.41
Rot. Bonds4

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

2-cyclopropyl-2-(3-propylphenyl)azepane (PubChem CID 116544727) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-propylphenyl)azepane.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-propylphenyl)azepane
PubChem CID116544727
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-cyclopropyl-2-(3-propylphenyl)azepane
SMILESCCCc1cccc(C2(C3CC3)CCCCCN2)c1
InChIInChI=1S/C18H27N/c1-2-7-15-8-6-9-17(14-15)18(16-10-11-16)12-4-3-5-13-19-18/h6,8-9,14,16,19H,2-5,7,10-13H2,1H3
InChIKeyZASATPNJEPPUFK-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-propylphenyl)azepane?
The IUPAC name of 2-cyclopropyl-2-(3-propylphenyl)azepane (CID 116544727) is 2-cyclopropyl-2-(3-propylphenyl)azepane.
What is the SMILES notation for 2-cyclopropyl-2-(3-propylphenyl)azepane?
The canonical SMILES for 2-cyclopropyl-2-(3-propylphenyl)azepane is CCCc1cccc(C2(C3CC3)CCCCCN2)c1.
What is the InChIKey of 2-cyclopropyl-2-(3-propylphenyl)azepane?
The InChIKey is ZASATPNJEPPUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-7-15-8-6-9-17(14-15)18(16-10-11-16)12-4-3-5-13-19-18/h6,8-9,14,16,19H,2-5,7,10-13H2,1H3.
What are the key properties of 2-cyclopropyl-2-(3-propylphenyl)azepane?
2-cyclopropyl-2-(3-propylphenyl)azepane has a molecular weight of 257.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-propylphenyl)azepane is sourced from PubChem (CID 116544727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).