4,6-dimethyl-4-propan-2-ylazepine

C11H17N — CID 123479535

IUPAC4,6-dimethyl-4-propan-2-ylazepine
SMILESCC1=CC(C)(C(C)C)C=CN=C1
InChIInChI=1S/C11H17N/c1-9(2)11(4)5-6-12-8-10(3)7-11/h5-9H,1-4H3
InChIKeyGDCDEOZFAMOCSS-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.19
Rot. Bonds1

About 4,6-dimethyl-4-propan-2-ylazepine

4,6-dimethyl-4-propan-2-ylazepine (PubChem CID 123479535) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4,6-dimethyl-4-propan-2-ylazepine.

Molecular Properties

Compound Name4,6-dimethyl-4-propan-2-ylazepine
PubChem CID123479535
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4,6-dimethyl-4-propan-2-ylazepine
SMILESCC1=CC(C)(C(C)C)C=CN=C1
InChIInChI=1S/C11H17N/c1-9(2)11(4)5-6-12-8-10(3)7-11/h5-9H,1-4H3
InChIKeyGDCDEOZFAMOCSS-UHFFFAOYSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,6-dimethyl-4-propan-2-ylazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z,7Z)-3-fluoro-3,6-dimethyl-6-propan-2-ylazocine
CID 153596987
(7Z)-3-fluoro-3,6-dimethyl-6-propan-2-ylazocine
CID 174177002
N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine
CID 178088574
3,6-ditert-butyl-3H-azepine
CID 10987408
3,6-ditert-butyl-4H-azepine
CID 14927387
3,5-ditert-butyl-3H-azepine
CID 134891208
(Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine
CID 142605613
(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
CID 88576624
5-Tert-butyl-3,3-dimethylazepine
CID 89070578
4-methyl-6-[(2E,4E,6Z)-octa-2,4,6-trien-4-yl]-4H-azepine
CID 89308173
4-ethyl-4H-azepine
CID 90736264
3,4-dimethyl-6-(1-methylcyclopropyl)-4H-azepine
CID 90871591

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-4-propan-2-ylazepine?
The IUPAC name of 4,6-dimethyl-4-propan-2-ylazepine (CID 123479535) is 4,6-dimethyl-4-propan-2-ylazepine.
What is the SMILES notation for 4,6-dimethyl-4-propan-2-ylazepine?
The canonical SMILES for 4,6-dimethyl-4-propan-2-ylazepine is CC1=CC(C)(C(C)C)C=CN=C1.
What is the InChIKey of 4,6-dimethyl-4-propan-2-ylazepine?
The InChIKey is GDCDEOZFAMOCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)11(4)5-6-12-8-10(3)7-11/h5-9H,1-4H3.
What are the key properties of 4,6-dimethyl-4-propan-2-ylazepine?
4,6-dimethyl-4-propan-2-ylazepine has a molecular weight of 163.26 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4-propan-2-ylazepine is sourced from PubChem (CID 123479535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).