5,5-dimethylazepine-2,3-diamine

C8H13N3 — CID 146363123

IUPAC5,5-dimethylazepine-2,3-diamine
SMILESCC1(C)C=CN=C(N)C(N)=C1
InChIInChI=1S/C8H13N3/c1-8(2)3-4-11-7(10)6(9)5-8/h3-5H,9H2,1-2H3,(H2,10,11)
InChIKeyOIQCAPOTDXSGDQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.74
Rot. Bonds

About 5,5-dimethylazepine-2,3-diamine

5,5-dimethylazepine-2,3-diamine (PubChem CID 146363123) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5,5-dimethylazepine-2,3-diamine.

Molecular Properties

Compound Name5,5-dimethylazepine-2,3-diamine
PubChem CID146363123
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5,5-dimethylazepine-2,3-diamine
SMILESCC1(C)C=CN=C(N)C(N)=C1
InChIInChI=1S/C8H13N3/c1-8(2)3-4-11-7(10)6(9)5-8/h3-5H,9H2,1-2H3,(H2,10,11)
InChIKeyOIQCAPOTDXSGDQ-UHFFFAOYSA-N
XLogP0.74
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethylazepine-2,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylazepine-2,3-diamine?
The IUPAC name of 5,5-dimethylazepine-2,3-diamine (CID 146363123) is 5,5-dimethylazepine-2,3-diamine.
What is the SMILES notation for 5,5-dimethylazepine-2,3-diamine?
The canonical SMILES for 5,5-dimethylazepine-2,3-diamine is CC1(C)C=CN=C(N)C(N)=C1.
What is the InChIKey of 5,5-dimethylazepine-2,3-diamine?
The InChIKey is OIQCAPOTDXSGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-8(2)3-4-11-7(10)6(9)5-8/h3-5H,9H2,1-2H3,(H2,10,11).
What are the key properties of 5,5-dimethylazepine-2,3-diamine?
5,5-dimethylazepine-2,3-diamine has a molecular weight of 151.21 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylazepine-2,3-diamine is sourced from PubChem (CID 146363123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).