1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine

C13H20N2 — CID 82241404

IUPAC1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine
SMILESCc1cccc2c1N(C)CC(C)(C)NC2
InChIInChI=1S/C13H20N2/c1-10-6-5-7-11-8-14-13(2,3)9-15(4)12(10)11/h5-7,14H,8-9H2,1-4H3
InChIKeyASUUDMNVQYCMHA-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.31
Rot. Bonds

About 1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine

1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine (PubChem CID 82241404) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine.

Molecular Properties

Compound Name1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine
PubChem CID82241404
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine
SMILESCc1cccc2c1N(C)CC(C)(C)NC2
InChIInChI=1S/C13H20N2/c1-10-6-5-7-11-8-14-13(2,3)9-15(4)12(10)11/h5-7,14H,8-9H2,1-4H3
InChIKeyASUUDMNVQYCMHA-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine?
The IUPAC name of 1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine (CID 82241404) is 1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine.
What is the SMILES notation for 1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine?
The canonical SMILES for 1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine is Cc1cccc2c1N(C)CC(C)(C)NC2.
What is the InChIKey of 1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine?
The InChIKey is ASUUDMNVQYCMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-6-5-7-11-8-14-13(2,3)9-15(4)12(10)11/h5-7,14H,8-9H2,1-4H3.
What are the key properties of 1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine?
1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine has a molecular weight of 204.32 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine is sourced from PubChem (CID 82241404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).