1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine

C18H28N2O — CID 82250371

IUPAC1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine
SMILESCOc1ccc2c(c1)N(C1CCCCC1)CC(C)(C)NC2
InChIInChI=1S/C18H28N2O/c1-18(2)13-20(15-7-5-4-6-8-15)17-11-16(21-3)10-9-14(17)12-19-18/h9-11,15,19H,4-8,12-13H2,1-3H3
InChIKeyDXFAXBARXREUEV-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.72
Rot. Bonds2

About 1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine

1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine (PubChem CID 82250371) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine.

Molecular Properties

Compound Name1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine
PubChem CID82250371
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine
SMILESCOc1ccc2c(c1)N(C1CCCCC1)CC(C)(C)NC2
InChIInChI=1S/C18H28N2O/c1-18(2)13-20(15-7-5-4-6-8-15)17-11-16(21-3)10-9-14(17)12-19-18/h9-11,15,19H,4-8,12-13H2,1-3H3
InChIKeyDXFAXBARXREUEV-UHFFFAOYSA-N
XLogP3.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82246486
1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82923775
2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine
CID 169244209
3a-amino-2-cyclohexyl-7-methoxy-4,8b-dimethyl-1H-pyrrolo[3,4-b]indol-3-one
CID 51055665
1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82923899
1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64941938
(4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 11148681
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
CID 22038156
3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105472853
(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 45097545
3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride
CID 18976161
5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole
CID 169244448

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine?
The IUPAC name of 1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine (CID 82250371) is 1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine.
What is the SMILES notation for 1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine?
The canonical SMILES for 1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine is COc1ccc2c(c1)N(C1CCCCC1)CC(C)(C)NC2.
What is the InChIKey of 1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine?
The InChIKey is DXFAXBARXREUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2)13-20(15-7-5-4-6-8-15)17-11-16(21-3)10-9-14(17)12-19-18/h9-11,15,19H,4-8,12-13H2,1-3H3.
What are the key properties of 1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine?
1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine has a molecular weight of 288.44 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine is sourced from PubChem (CID 82250371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).