5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine

C10H14N2 — CID 11961606

IUPAC5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESCN1CCCNc2ccccc21
InChIInChI=1S/C10H14N2/c1-12-8-4-7-11-9-5-2-3-6-10(9)12/h2-3,5-6,11H,4,7-8H2,1H3
InChIKeyQTUHHZFSIDSGRC-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.94
Rot. Bonds

About 5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine

5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine (PubChem CID 11961606) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
PubChem CID11961606
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESCN1CCCNc2ccccc21
InChIInChI=1S/C10H14N2/c1-12-8-4-7-11-9-5-2-3-6-10(9)12/h2-3,5-6,11H,4,7-8H2,1H3
InChIKeyQTUHHZFSIDSGRC-UHFFFAOYSA-N
XLogP1.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine (CID 11961606) is 5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine is CN1CCCNc2ccccc21.
What is the InChIKey of 5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The InChIKey is QTUHHZFSIDSGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-12-8-4-7-11-9-5-2-3-6-10(9)12/h2-3,5-6,11H,4,7-8H2,1H3.
What are the key properties of 5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine?
5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine has a molecular weight of 162.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 11961606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).