6-(2-methylbutan-2-yl)-2H-azepine

C11H17N — CID 143873827

IUPAC6-(2-methylbutan-2-yl)-2H-azepine
SMILESCCC(C)(C)C1=CC=CCN=C1
InChIInChI=1S/C11H17N/c1-4-11(2,3)10-7-5-6-8-12-9-10/h5-7,9H,4,8H2,1-3H3
InChIKeyQCEILYGAPQFVJT-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.99
Rot. Bonds2

About 6-(2-methylbutan-2-yl)-2H-azepine

6-(2-methylbutan-2-yl)-2H-azepine (PubChem CID 143873827) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-2H-azepine.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-2H-azepine
PubChem CID143873827
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name6-(2-methylbutan-2-yl)-2H-azepine
SMILESCCC(C)(C)C1=CC=CCN=C1
InChIInChI=1S/C11H17N/c1-4-11(2,3)10-7-5-6-8-12-9-10/h5-7,9H,4,8H2,1-3H3
InChIKeyQCEILYGAPQFVJT-UHFFFAOYSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-ditert-butyl-2H-azepine
CID 14927386
6-ethyl-2H-azepine
CID 68405224
(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine
CID 87160355
(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine
CID 88562301
5,6-dimethyl-2H-azepine
CID 88993608
5-Tert-butyl-3,3-dimethylazepine
CID 89070578
(Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine
CID 89088982
[2-ethenyl-3-methyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
CID 89090370
(2Z)-5-methyl-2-(2-methylbutan-2-yl)hexa-2,4-dien-1-imine
CID 89697920
(E)-2-methyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]but-2-en-1-imine
CID 118145587
N,5,6,6-tetramethylhepta-2,4-dien-1-imine
CID 123174819
N-methyl-3-(3,3,7-trimethylcyclohepta-1,4,6-trien-1-yl)prop-2-en-1-imine
CID 123215024

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)-2H-azepine?
The IUPAC name of 6-(2-methylbutan-2-yl)-2H-azepine (CID 143873827) is 6-(2-methylbutan-2-yl)-2H-azepine.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-2H-azepine?
The canonical SMILES for 6-(2-methylbutan-2-yl)-2H-azepine is CCC(C)(C)C1=CC=CCN=C1.
What is the InChIKey of 6-(2-methylbutan-2-yl)-2H-azepine?
The InChIKey is QCEILYGAPQFVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-11(2,3)10-7-5-6-8-12-9-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 6-(2-methylbutan-2-yl)-2H-azepine?
6-(2-methylbutan-2-yl)-2H-azepine has a molecular weight of 163.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-2H-azepine is sourced from PubChem (CID 143873827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).