2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine

C15H22N2 — CID 102146713

IUPAC2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine
SMILESCCC1=Nc2ccccc2NC(CC)(CC)C1
InChIInChI=1S/C15H22N2/c1-4-12-11-15(5-2,6-3)17-14-10-8-7-9-13(14)16-12/h7-10,17H,4-6,11H2,1-3H3
InChIKeyPGWKHUZUEYDOEL-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.54
Rot. Bonds3

About 2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine

2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 102146713) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine
PubChem CID102146713
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine
SMILESCCC1=Nc2ccccc2NC(CC)(CC)C1
InChIInChI=1S/C15H22N2/c1-4-12-11-15(5-2,6-3)17-14-10-8-7-9-13(14)16-12/h7-10,17H,4-6,11H2,1-3H3
InChIKeyPGWKHUZUEYDOEL-UHFFFAOYSA-N
XLogP4.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine (CID 102146713) is 2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine is CCC1=Nc2ccccc2NC(CC)(CC)C1.
What is the InChIKey of 2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is PGWKHUZUEYDOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-12-11-15(5-2,6-3)17-14-10-8-7-9-13(14)16-12/h7-10,17H,4-6,11H2,1-3H3.
What are the key properties of 2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine?
2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 230.35 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 102146713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).