3-methyl-4,5-dihydro-1,3-diazepine

C6H10N2 — CID 91112762

IUPAC3-methyl-4,5-dihydro-1,3-diazepine
SMILESCN1C=NC=CCC1
InChIInChI=1S/C6H10N2/c1-8-5-3-2-4-7-6-8/h2,4,6H,3,5H2,1H3
InChIKeyJOWRSOIEYATXPO-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.86
Rot. Bonds

About 3-methyl-4,5-dihydro-1,3-diazepine

3-methyl-4,5-dihydro-1,3-diazepine (PubChem CID 91112762) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-methyl-4,5-dihydro-1,3-diazepine.

Molecular Properties

Compound Name3-methyl-4,5-dihydro-1,3-diazepine
PubChem CID91112762
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-methyl-4,5-dihydro-1,3-diazepine
SMILESCN1C=NC=CCC1
InChIInChI=1S/C6H10N2/c1-8-5-3-2-4-7-6-8/h2,4,6H,3,5H2,1H3
InChIKeyJOWRSOIEYATXPO-UHFFFAOYSA-N
XLogP0.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydro-1,3-diazepine?
The IUPAC name of 3-methyl-4,5-dihydro-1,3-diazepine (CID 91112762) is 3-methyl-4,5-dihydro-1,3-diazepine.
What is the SMILES notation for 3-methyl-4,5-dihydro-1,3-diazepine?
The canonical SMILES for 3-methyl-4,5-dihydro-1,3-diazepine is CN1C=NC=CCC1.
What is the InChIKey of 3-methyl-4,5-dihydro-1,3-diazepine?
The InChIKey is JOWRSOIEYATXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-8-5-3-2-4-7-6-8/h2,4,6H,3,5H2,1H3.
What are the key properties of 3-methyl-4,5-dihydro-1,3-diazepine?
3-methyl-4,5-dihydro-1,3-diazepine has a molecular weight of 110.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydro-1,3-diazepine is sourced from PubChem (CID 91112762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).