3,3-dimethyl-1,5-benzodiazepine

C11H12N2 — CID 67559989

IUPAC3,3-dimethyl-1,5-benzodiazepine
SMILESCC1(C)C=Nc2ccccc2N=C1
InChIInChI=1S/C11H12N2/c1-11(2)7-12-9-5-3-4-6-10(9)13-8-11/h3-8H,1-2H3
InChIKeyDZJQZQKZDNNEBT-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.13
Rot. Bonds

About 3,3-dimethyl-1,5-benzodiazepine

3,3-dimethyl-1,5-benzodiazepine (PubChem CID 67559989) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3,3-dimethyl-1,5-benzodiazepine.

Molecular Properties

Compound Name3,3-dimethyl-1,5-benzodiazepine
PubChem CID67559989
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name3,3-dimethyl-1,5-benzodiazepine
SMILESCC1(C)C=Nc2ccccc2N=C1
InChIInChI=1S/C11H12N2/c1-11(2)7-12-9-5-3-4-6-10(9)13-8-11/h3-8H,1-2H3
InChIKeyDZJQZQKZDNNEBT-UHFFFAOYSA-N
XLogP3.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,5-benzodiazepine?
The IUPAC name of 3,3-dimethyl-1,5-benzodiazepine (CID 67559989) is 3,3-dimethyl-1,5-benzodiazepine.
What is the SMILES notation for 3,3-dimethyl-1,5-benzodiazepine?
The canonical SMILES for 3,3-dimethyl-1,5-benzodiazepine is CC1(C)C=Nc2ccccc2N=C1.
What is the InChIKey of 3,3-dimethyl-1,5-benzodiazepine?
The InChIKey is DZJQZQKZDNNEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-11(2)7-12-9-5-3-4-6-10(9)13-8-11/h3-8H,1-2H3.
What are the key properties of 3,3-dimethyl-1,5-benzodiazepine?
3,3-dimethyl-1,5-benzodiazepine has a molecular weight of 172.23 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,5-benzodiazepine is sourced from PubChem (CID 67559989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).