4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine

C11H15N3 — CID 144854974

IUPAC4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine
SMILESCc1ccc2c(c1)CN(C)CC(N)=N2
InChIInChI=1S/C11H15N3/c1-8-3-4-10-9(5-8)6-14(2)7-11(12)13-10/h3-5H,6-7H2,1-2H3,(H2,12,13)
InChIKeySLKQWRCMZOMRQH-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.43
Rot. Bonds

About 4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine

4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine (PubChem CID 144854974) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine.

Molecular Properties

Compound Name4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine
PubChem CID144854974
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine
SMILESCc1ccc2c(c1)CN(C)CC(N)=N2
InChIInChI=1S/C11H15N3/c1-8-3-4-10-9(5-8)6-14(2)7-11(12)13-10/h3-5H,6-7H2,1-2H3,(H2,12,13)
InChIKeySLKQWRCMZOMRQH-UHFFFAOYSA-N
XLogP1.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine 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

3-benzyl-6-methyl-4H-quinazolin-2-amine;hydrochloride
CID 121005341
2,6-dimethyl-3,4-dihydroquinoline
CID 13125269
3,7-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135711148
N'-[(2-amino-5-chlorophenyl)methyl]-N'-methylprop-1-yne-1,3-diamine;7-chloro-4-methyl-3,5-dihydro-1,4-benzodiazepin-2-amine;iodomethane;triiodide
CID 158791774
2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine
CID 175744132
2-methyl-11,13-dihydro-6H-quinazolino[2,3-b]quinazoline
CID 10083413
2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 84613951
3-benzyl-7-methyl-9H-tetrazolo[5,1-b]quinazoline
CID 56590990
2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 138554110
6-(3-methylphenoxy)-3-propyl-4H-quinazolin-2-amine
CID 163562006
2,6-dimethyl-1,3-dihydroisoindol-5-amine
CID 168889274
6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine
CID 57333469

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine?
The IUPAC name of 4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine (CID 144854974) is 4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine.
What is the SMILES notation for 4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine?
The canonical SMILES for 4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine is Cc1ccc2c(c1)CN(C)CC(N)=N2.
What is the InChIKey of 4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine?
The InChIKey is SLKQWRCMZOMRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-3-4-10-9(5-8)6-14(2)7-11(12)13-10/h3-5H,6-7H2,1-2H3,(H2,12,13).
What are the key properties of 4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine?
4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine has a molecular weight of 189.26 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine is sourced from PubChem (CID 144854974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).