1,5-dimethyl-1,4-diazepine

C7H10N2 — CID 155019232

IUPAC1,5-dimethyl-1,4-diazepine
SMILESCC1=NC=CN(C)C=C1
InChIInChI=1S/C7H10N2/c1-7-3-5-9(2)6-4-8-7/h3-6H,1-2H3
InChIKeySXPOARIHPKATMR-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.38
Rot. Bonds

About 1,5-dimethyl-1,4-diazepine

1,5-dimethyl-1,4-diazepine (PubChem CID 155019232) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,5-dimethyl-1,4-diazepine.

Molecular Properties

Compound Name1,5-dimethyl-1,4-diazepine
PubChem CID155019232
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1,5-dimethyl-1,4-diazepine
SMILESCC1=NC=CN(C)C=C1
InChIInChI=1S/C7H10N2/c1-7-3-5-9(2)6-4-8-7/h3-6H,1-2H3
InChIKeySXPOARIHPKATMR-UHFFFAOYSA-N
XLogP1.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1,4-diazepine?
The IUPAC name of 1,5-dimethyl-1,4-diazepine (CID 155019232) is 1,5-dimethyl-1,4-diazepine.
What is the SMILES notation for 1,5-dimethyl-1,4-diazepine?
The canonical SMILES for 1,5-dimethyl-1,4-diazepine is CC1=NC=CN(C)C=C1.
What is the InChIKey of 1,5-dimethyl-1,4-diazepine?
The InChIKey is SXPOARIHPKATMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-7-3-5-9(2)6-4-8-7/h3-6H,1-2H3.
What are the key properties of 1,5-dimethyl-1,4-diazepine?
1,5-dimethyl-1,4-diazepine has a molecular weight of 122.17 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1,4-diazepine is sourced from PubChem (CID 155019232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).