(2R)-7-butyl-2-methyl-2H-azepine

C11H17N — CID 134989384

IUPAC(2R)-7-butyl-2-methyl-2H-azepine
SMILESCCCCC1=N[C@H](C)C=CC=C1
InChIInChI=1S/C11H17N/c1-3-4-8-11-9-6-5-7-10(2)12-11/h5-7,9-10H,3-4,8H2,1-2H3/t10-/m1/s1
InChIKeyFHRSXRSJOCTZKN-SNVBAGLBSA-N
MW163.26 g/mol
LogP3.13
Rot. Bonds3

About (2R)-7-butyl-2-methyl-2H-azepine

(2R)-7-butyl-2-methyl-2H-azepine (PubChem CID 134989384) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2R)-7-butyl-2-methyl-2H-azepine.

Molecular Properties

Compound Name(2R)-7-butyl-2-methyl-2H-azepine
PubChem CID134989384
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2R)-7-butyl-2-methyl-2H-azepine
SMILESCCCCC1=N[C@H](C)C=CC=C1
InChIInChI=1S/C11H17N/c1-3-4-8-11-9-6-5-7-10(2)12-11/h5-7,9-10H,3-4,8H2,1-2H3/t10-/m1/s1
InChIKeyFHRSXRSJOCTZKN-SNVBAGLBSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-butyl-2-methyl-2H-azepine?
The IUPAC name of (2R)-7-butyl-2-methyl-2H-azepine (CID 134989384) is (2R)-7-butyl-2-methyl-2H-azepine.
What is the SMILES notation for (2R)-7-butyl-2-methyl-2H-azepine?
The canonical SMILES for (2R)-7-butyl-2-methyl-2H-azepine is CCCCC1=N[C@H](C)C=CC=C1.
What is the InChIKey of (2R)-7-butyl-2-methyl-2H-azepine?
The InChIKey is FHRSXRSJOCTZKN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-8-11-9-6-5-7-10(2)12-11/h5-7,9-10H,3-4,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-7-butyl-2-methyl-2H-azepine?
(2R)-7-butyl-2-methyl-2H-azepine has a molecular weight of 163.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-butyl-2-methyl-2H-azepine is sourced from PubChem (CID 134989384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).