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

C6H10N2 — CID 123928713

IUPAC2-methyl-4,5-dihydro-1H-1,3-diazepine
SMILESCC1=NCCC=CN1
InChIInChI=1S/C6H10N2/c1-6-7-4-2-3-5-8-6/h2,4H,3,5H2,1H3,(H,7,8)
InChIKeyXLFUZNFMMWKLOU-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.91
Rot. Bonds

About 2-methyl-4,5-dihydro-1H-1,3-diazepine

2-methyl-4,5-dihydro-1H-1,3-diazepine (PubChem CID 123928713) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-1H-1,3-diazepine.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-1H-1,3-diazepine
PubChem CID123928713
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-methyl-4,5-dihydro-1H-1,3-diazepine
SMILESCC1=NCCC=CN1
InChIInChI=1S/C6H10N2/c1-6-7-4-2-3-5-8-6/h2,4H,3,5H2,1H3,(H,7,8)
InChIKeyXLFUZNFMMWKLOU-UHFFFAOYSA-N
XLogP0.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Methyl-1,4-dihydropyrimidine
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2-Methyl-1H-1,3-diazepine
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2-prop-2-enyl-1H-1,3-diazepine
CID 69249614
2-Ethyl-1,4-dihydropyrimidine
CID 69423963
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(Z)-3-amino-N,N'-dimethylprop-2-enimidamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-1H-1,3-diazepine?
The IUPAC name of 2-methyl-4,5-dihydro-1H-1,3-diazepine (CID 123928713) is 2-methyl-4,5-dihydro-1H-1,3-diazepine.
What is the SMILES notation for 2-methyl-4,5-dihydro-1H-1,3-diazepine?
The canonical SMILES for 2-methyl-4,5-dihydro-1H-1,3-diazepine is CC1=NCCC=CN1.
What is the InChIKey of 2-methyl-4,5-dihydro-1H-1,3-diazepine?
The InChIKey is XLFUZNFMMWKLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-6-7-4-2-3-5-8-6/h2,4H,3,5H2,1H3,(H,7,8).
What are the key properties of 2-methyl-4,5-dihydro-1H-1,3-diazepine?
2-methyl-4,5-dihydro-1H-1,3-diazepine has a molecular weight of 110.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-1H-1,3-diazepine is sourced from PubChem (CID 123928713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).