5-N,5-dimethylazepine-2,5-diamine

C8H13N3 — CID 163776764

IUPAC5-N,5-dimethylazepine-2,5-diamine
SMILESCNC1(C)C=CN=C(N)C=C1
InChIInChI=1S/C8H13N3/c1-8(10-2)4-3-7(9)11-6-5-8/h3-6,10H,1-2H3,(H2,9,11)
InChIKeyMLDOXGCWVQXLNA-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.41
Rot. Bonds1

About 5-N,5-dimethylazepine-2,5-diamine

5-N,5-dimethylazepine-2,5-diamine (PubChem CID 163776764) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-N,5-dimethylazepine-2,5-diamine.

Molecular Properties

Compound Name5-N,5-dimethylazepine-2,5-diamine
PubChem CID163776764
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-N,5-dimethylazepine-2,5-diamine
SMILESCNC1(C)C=CN=C(N)C=C1
InChIInChI=1S/C8H13N3/c1-8(10-2)4-3-7(9)11-6-5-8/h3-6,10H,1-2H3,(H2,9,11)
InChIKeyMLDOXGCWVQXLNA-UHFFFAOYSA-N
XLogP0.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-N,5-dimethylazepine-2,5-diamine 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

5,5-Dimethylazepin-2-amine
CID 123272233
2-N,2-N,5-trimethylazepine-2,5-diamine
CID 123646662
ethane;N-methyl-1,4-dihydroazepin-7-imine;molecular hydrogen
CID 142116842
N-methyl-1,4-dihydroazepin-7-imine
CID 142116843
2-(1,4-Dihydroazepin-7-ylideneamino)ethanamine;ethane
CID 142256419
N,5-dimethyl-1,4-dihydroazepin-7-imine
CID 142348306
5-Methyl-5-(methylideneamino)azepin-2-amine
CID 147717169
N,5,5-trimethyl-1H-azepin-2-imine
CID 155382402
4,4-dimethyl-6H-pyrrolo[3,2-d][1,3]diazepine
CID 163915546
N-(2-iodo-3-methylbut-2-enyl)-1,4-dihydroazepin-7-imine
CID 169851384
(Z)-N'-[(3E)-hexa-3,5-dien-3-yl]-3-(methylamino)prop-2-enimidamide
CID 170127123
5,5-dimethyl-N-propyl-1H-azepin-2-imine
CID 174301745

Frequently Asked Questions

What is the IUPAC name of 5-N,5-dimethylazepine-2,5-diamine?
The IUPAC name of 5-N,5-dimethylazepine-2,5-diamine (CID 163776764) is 5-N,5-dimethylazepine-2,5-diamine.
What is the SMILES notation for 5-N,5-dimethylazepine-2,5-diamine?
The canonical SMILES for 5-N,5-dimethylazepine-2,5-diamine is CNC1(C)C=CN=C(N)C=C1.
What is the InChIKey of 5-N,5-dimethylazepine-2,5-diamine?
The InChIKey is MLDOXGCWVQXLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-8(10-2)4-3-7(9)11-6-5-8/h3-6,10H,1-2H3,(H2,9,11).
What are the key properties of 5-N,5-dimethylazepine-2,5-diamine?
5-N,5-dimethylazepine-2,5-diamine has a molecular weight of 151.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-dimethylazepine-2,5-diamine is sourced from PubChem (CID 163776764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).