6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine

C12H18N2 — CID 84618977

IUPAC6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
SMILESCCc1cccc2c1NCCCN2C
InChIInChI=1S/C12H18N2/c1-3-10-6-4-7-11-12(10)13-8-5-9-14(11)2/h4,6-7,13H,3,5,8-9H2,1-2H3
InChIKeyPXSNGNMVUNSBGI-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.50
Rot. Bonds1

About 6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine

6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine (PubChem CID 84618977) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
PubChem CID84618977
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
SMILESCCc1cccc2c1NCCCN2C
InChIInChI=1S/C12H18N2/c1-3-10-6-4-7-11-12(10)13-8-5-9-14(11)2/h4,6-7,13H,3,5,8-9H2,1-2H3
InChIKeyPXSNGNMVUNSBGI-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine 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

1-methyl-3,4-dihydro-2H-quinoxalin-5-ol
CID 115094785
8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
CID 83839922
(1-ethyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
CID 115095768
2-(2-ethylphenyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 117003072
5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618476
1-(6-ethyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 84623033
5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84621585
8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81217574
1-(6-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)ethanone
CID 82396564
10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84626705
2-amino-1-(6-ethyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 84627549
1-(2,6-diethylphenyl)imidazolidin-2-one
CID 115370429

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine (CID 84618977) is 6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine is CCc1cccc2c1NCCCN2C.
What is the InChIKey of 6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine?
The InChIKey is PXSNGNMVUNSBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-10-6-4-7-11-12(10)13-8-5-9-14(11)2/h4,6-7,13H,3,5,8-9H2,1-2H3.
What are the key properties of 6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine?
6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine has a molecular weight of 190.29 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 84618977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).