1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine

C19H30N2 — CID 82923899

IUPAC1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine
SMILESCCC1(CC)CN(C2CCCCC2)c2ccccc2CN1
InChIInChI=1S/C19H30N2/c1-3-19(4-2)15-21(17-11-6-5-7-12-17)18-13-9-8-10-16(18)14-20-19/h8-10,13,17,20H,3-7,11-12,14-15H2,1-2H3
InChIKeyMKKGQDBGTXVKFF-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.49
Rot. Bonds3

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

1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine (PubChem CID 82923899) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine.

Molecular Properties

Compound Name1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine
PubChem CID82923899
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine
SMILESCCC1(CC)CN(C2CCCCC2)c2ccccc2CN1
InChIInChI=1S/C19H30N2/c1-3-19(4-2)15-21(17-11-6-5-7-12-17)18-13-9-8-10-16(18)14-20-19/h8-10,13,17,20H,3-7,11-12,14-15H2,1-2H3
InChIKeyMKKGQDBGTXVKFF-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine?
The IUPAC name of 1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine (CID 82923899) is 1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine.
What is the SMILES notation for 1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine?
The canonical SMILES for 1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine is CCC1(CC)CN(C2CCCCC2)c2ccccc2CN1.
What is the InChIKey of 1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine?
The InChIKey is MKKGQDBGTXVKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-19(4-2)15-21(17-11-6-5-7-12-17)18-13-9-8-10-16(18)14-20-19/h8-10,13,17,20H,3-7,11-12,14-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine?
1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine has a molecular weight of 286.46 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-diethyl-4,5-dihydro-2H-1,4-benzodiazepine is sourced from PubChem (CID 82923899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).