2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine

C16H24N2 — CID 12987314

IUPAC2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine
SMILESCC(C)C1=Nc2ccccc2NC(C)(C(C)C)C1
InChIInChI=1S/C16H24N2/c1-11(2)15-10-16(5,12(3)4)18-14-9-7-6-8-13(14)17-15/h6-9,11-12,18H,10H2,1-5H3
InChIKeyOTNOKPBHTRZGQE-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.65
Rot. Bonds2

About 2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine

2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine (PubChem CID 12987314) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine
PubChem CID12987314
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine
SMILESCC(C)C1=Nc2ccccc2NC(C)(C(C)C)C1
InChIInChI=1S/C16H24N2/c1-11(2)15-10-16(5,12(3)4)18-14-9-7-6-8-13(14)17-15/h6-9,11-12,18H,10H2,1-5H3
InChIKeyOTNOKPBHTRZGQE-UHFFFAOYSA-N
XLogP4.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine (CID 12987314) is 2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine is CC(C)C1=Nc2ccccc2NC(C)(C(C)C)C1.
What is the InChIKey of 2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is OTNOKPBHTRZGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11(2)15-10-16(5,12(3)4)18-14-9-7-6-8-13(14)17-15/h6-9,11-12,18H,10H2,1-5H3.
What are the key properties of 2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine?
2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 244.38 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,4-di(propan-2-yl)-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 12987314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).