1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine

C19H28N2 — CID 82923775

IUPAC1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine
SMILESCC1(C2CC2)CN(C2CCCCC2)c2ccccc2CN1
InChIInChI=1S/C19H28N2/c1-19(16-11-12-16)14-21(17-8-3-2-4-9-17)18-10-6-5-7-15(18)13-20-19/h5-7,10,16-17,20H,2-4,8-9,11-14H2,1H3
InChIKeyUOQBTJXHUKNCFO-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.10
Rot. Bonds2

About 1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine

1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine (PubChem CID 82923775) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine.

Molecular Properties

Compound Name1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine
PubChem CID82923775
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine
SMILESCC1(C2CC2)CN(C2CCCCC2)c2ccccc2CN1
InChIInChI=1S/C19H28N2/c1-19(16-11-12-16)14-21(17-8-3-2-4-9-17)18-10-6-5-7-15(18)13-20-19/h5-7,10,16-17,20H,2-4,8-9,11-14H2,1H3
InChIKeyUOQBTJXHUKNCFO-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine?
The IUPAC name of 1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine (CID 82923775) is 1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine.
What is the SMILES notation for 1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine?
The canonical SMILES for 1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine is CC1(C2CC2)CN(C2CCCCC2)c2ccccc2CN1.
What is the InChIKey of 1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine?
The InChIKey is UOQBTJXHUKNCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-19(16-11-12-16)14-21(17-8-3-2-4-9-17)18-10-6-5-7-15(18)13-20-19/h5-7,10,16-17,20H,2-4,8-9,11-14H2,1H3.
What are the key properties of 1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine?
1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine has a molecular weight of 284.45 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine is sourced from PubChem (CID 82923775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).