3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

C15H24N2 — CID 82243030

IUPAC3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCc1cccc2c1N(CC(C)C)CC(C)NC2
InChIInChI=1S/C15H24N2/c1-11(2)9-17-10-13(4)16-8-14-7-5-6-12(3)15(14)17/h5-7,11,13,16H,8-10H2,1-4H3
InChIKeyWUJICMZVZNGQFP-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds2

About 3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (PubChem CID 82243030) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.

Molecular Properties

Compound Name3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
PubChem CID82243030
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCc1cccc2c1N(CC(C)C)CC(C)NC2
InChIInChI=1S/C15H24N2/c1-11(2)9-17-10-13(4)16-8-14-7-5-6-12(3)15(14)17/h5-7,11,13,16H,8-10H2,1-4H3
InChIKeyWUJICMZVZNGQFP-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The IUPAC name of 3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (CID 82243030) is 3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.
What is the SMILES notation for 3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The canonical SMILES for 3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is Cc1cccc2c1N(CC(C)C)CC(C)NC2.
What is the InChIKey of 3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The InChIKey is WUJICMZVZNGQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(2)9-17-10-13(4)16-8-14-7-5-6-12(3)15(14)17/h5-7,11,13,16H,8-10H2,1-4H3.
What are the key properties of 3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine has a molecular weight of 232.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is sourced from PubChem (CID 82243030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).