5-methyl-3,7-di(propan-2-yl)-4H-diazepine

C12H20N2 — CID 557376

IUPAC5-methyl-3,7-di(propan-2-yl)-4H-diazepine
SMILESCC1=CC(C(C)C)=NN=C(C(C)C)C1
InChIInChI=1S/C12H20N2/c1-8(2)11-6-10(5)7-12(9(3)4)14-13-11/h6,8-9H,7H2,1-5H3
InChIKeyJTBDDPJLSBXQJD-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.45
Rot. Bonds2

About 5-methyl-3,7-di(propan-2-yl)-4H-diazepine

5-methyl-3,7-di(propan-2-yl)-4H-diazepine (PubChem CID 557376) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-methyl-3,7-di(propan-2-yl)-4H-diazepine.

Molecular Properties

Compound Name5-methyl-3,7-di(propan-2-yl)-4H-diazepine
PubChem CID557376
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-methyl-3,7-di(propan-2-yl)-4H-diazepine
SMILESCC1=CC(C(C)C)=NN=C(C(C)C)C1
InChIInChI=1S/C12H20N2/c1-8(2)11-6-10(5)7-12(9(3)4)14-13-11/h6,8-9H,7H2,1-5H3
InChIKeyJTBDDPJLSBXQJD-UHFFFAOYSA-N
XLogP3.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,7-di(propan-2-yl)-4H-diazepine?
The IUPAC name of 5-methyl-3,7-di(propan-2-yl)-4H-diazepine (CID 557376) is 5-methyl-3,7-di(propan-2-yl)-4H-diazepine.
What is the SMILES notation for 5-methyl-3,7-di(propan-2-yl)-4H-diazepine?
The canonical SMILES for 5-methyl-3,7-di(propan-2-yl)-4H-diazepine is CC1=CC(C(C)C)=NN=C(C(C)C)C1.
What is the InChIKey of 5-methyl-3,7-di(propan-2-yl)-4H-diazepine?
The InChIKey is JTBDDPJLSBXQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8(2)11-6-10(5)7-12(9(3)4)14-13-11/h6,8-9H,7H2,1-5H3.
What are the key properties of 5-methyl-3,7-di(propan-2-yl)-4H-diazepine?
5-methyl-3,7-di(propan-2-yl)-4H-diazepine has a molecular weight of 192.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,7-di(propan-2-yl)-4H-diazepine is sourced from PubChem (CID 557376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).