1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine

C19H30N2 — CID 79909670

IUPAC1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine
SMILESCCC1(C)CN(CC2CCCCC2)c2ccccc2CN1
InChIInChI=1S/C19H30N2/c1-3-19(2)15-21(14-16-9-5-4-6-10-16)18-12-8-7-11-17(18)13-20-19/h7-8,11-12,16,20H,3-6,9-10,13-15H2,1-2H3
InChIKeyGQOILIZQQSAXHH-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.35
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine

1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine (PubChem CID 79909670) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine
PubChem CID79909670
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine
SMILESCCC1(C)CN(CC2CCCCC2)c2ccccc2CN1
InChIInChI=1S/C19H30N2/c1-3-19(2)15-21(14-16-9-5-4-6-10-16)18-12-8-7-11-17(18)13-20-19/h7-8,11-12,16,20H,3-6,9-10,13-15H2,1-2H3
InChIKeyGQOILIZQQSAXHH-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-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-butan-2-yl-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 79909667
3-tert-butyl-1-(cyclopentylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79906826
3,3-dimethyl-1-(oxolan-3-ylmethyl)-4,5-dihydro-2H-1,4-benzodiazepine
CID 79909931
1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82923899
3-butan-2-yl-1-(cyclopentylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79910140
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
1-(cyclohexylmethyl)-5-ethyl-2,5-dimethylpiperazine
CID 64847892
1-benzyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 79909917
3,3-diethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,4-benzodiazepine
CID 79909672
1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82923775
3-cyclopropyl-3-methyl-1-(2-methylpentyl)-4,5-dihydro-2H-1,4-benzodiazepine
CID 79909104
3,3-diethyl-1-pentyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 79909925

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine?
The IUPAC name of 1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine (CID 79909670) is 1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine is CCC1(C)CN(CC2CCCCC2)c2ccccc2CN1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine?
The InChIKey is GQOILIZQQSAXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-19(2)15-21(14-16-9-5-4-6-10-16)18-12-8-7-11-17(18)13-20-19/h7-8,11-12,16,20H,3-6,9-10,13-15H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine?
1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine has a molecular weight of 286.46 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-ethyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine is sourced from PubChem (CID 79909670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).