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

C11H16N2 — CID 82647084

IUPAC1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCC1NCCN(C)c2ccccc21
InChIInChI=1S/C11H16N2/c1-9-10-5-3-4-6-11(10)13(2)8-7-12-9/h3-6,9,12H,7-8H2,1-2H3
InChIKeyZYELXCVRTYNGPQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.79
Rot. Bonds

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

1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine (PubChem CID 82647084) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine.

Molecular Properties

Compound Name1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
PubChem CID82647084
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCC1NCCN(C)c2ccccc21
InChIInChI=1S/C11H16N2/c1-9-10-5-3-4-6-11(10)13(2)8-7-12-9/h3-6,9,12H,7-8H2,1-2H3
InChIKeyZYELXCVRTYNGPQ-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
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1,3-dimethylpiperazin-2-one;ethane
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ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
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1,3-dimethyl-3,4-dihydro-2H-quinolin-4-amine
CID 82276304
1-methyl-2,3-dihydroindole-3-thiol
CID 123600877
(4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline
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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The IUPAC name of 1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine (CID 82647084) is 1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine.
What is the SMILES notation for 1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The canonical SMILES for 1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine is CC1NCCN(C)c2ccccc21.
What is the InChIKey of 1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The InChIKey is ZYELXCVRTYNGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-10-5-3-4-6-11(10)13(2)8-7-12-9/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine has a molecular weight of 176.26 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine is sourced from PubChem (CID 82647084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).