2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine

C14H20N2 — CID 11458601

IUPAC2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine
SMILESCCC1=Nc2ccccc2NC(C)(CC)C1
InChIInChI=1S/C14H20N2/c1-4-11-10-14(3,5-2)16-13-9-7-6-8-12(13)15-11/h6-9,16H,4-5,10H2,1-3H3
InChIKeyXQVLTNVSPORWQO-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.15
Rot. Bonds2

About 2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine

2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 11458601) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine
PubChem CID11458601
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine
SMILESCCC1=Nc2ccccc2NC(C)(CC)C1
InChIInChI=1S/C14H20N2/c1-4-11-10-14(3,5-2)16-13-9-7-6-8-12(13)15-11/h6-9,16H,4-5,10H2,1-3H3
InChIKeyXQVLTNVSPORWQO-UHFFFAOYSA-N
XLogP4.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine (CID 11458601) is 2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine is CCC1=Nc2ccccc2NC(C)(CC)C1.
What is the InChIKey of 2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is XQVLTNVSPORWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-11-10-14(3,5-2)16-13-9-7-6-8-12(13)15-11/h6-9,16H,4-5,10H2,1-3H3.
What are the key properties of 2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine?
2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 216.33 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 11458601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).