3,5-dimethyl-4,7-dihydro-3H-diazepine

C7H12N2 — CID 57131723

IUPAC3,5-dimethyl-4,7-dihydro-3H-diazepine
SMILESCC1=CCN=NC(C)C1
InChIInChI=1S/C7H12N2/c1-6-3-4-8-9-7(2)5-6/h3,7H,4-5H2,1-2H3
InChIKeyBDAIRSNJQRUVCW-UHFFFAOYSA-N
MW124.19 g/mol
LogP2.18
Rot. Bonds

About 3,5-dimethyl-4,7-dihydro-3H-diazepine

3,5-dimethyl-4,7-dihydro-3H-diazepine (PubChem CID 57131723) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3,5-dimethyl-4,7-dihydro-3H-diazepine.

Molecular Properties

Compound Name3,5-dimethyl-4,7-dihydro-3H-diazepine
PubChem CID57131723
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3,5-dimethyl-4,7-dihydro-3H-diazepine
SMILESCC1=CCN=NC(C)C1
InChIInChI=1S/C7H12N2/c1-6-3-4-8-9-7(2)5-6/h3,7H,4-5H2,1-2H3
InChIKeyBDAIRSNJQRUVCW-UHFFFAOYSA-N
XLogP2.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 11073491
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CID 21719238
(4Z)-4-ethylidene-3-methyl-3,5-dihydropyrazole
CID 21719239
6-Azido-2-methylhept-2-ene
CID 13512615
6-Azido-2-methylhex-2-ene
CID 85990394
6-Azido-1-methylcyclohex-1-ene
CID 91419492
(4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole
CID 123454714
6-Azido-3-methylhex-2-ene
CID 123839816
(6E,10E)-8-azido-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 132016407
(E)-6-azido-3-methylhex-2-ene
CID 140644830
5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine
CID 163574547

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4,7-dihydro-3H-diazepine?
The IUPAC name of 3,5-dimethyl-4,7-dihydro-3H-diazepine (CID 57131723) is 3,5-dimethyl-4,7-dihydro-3H-diazepine.
What is the SMILES notation for 3,5-dimethyl-4,7-dihydro-3H-diazepine?
The canonical SMILES for 3,5-dimethyl-4,7-dihydro-3H-diazepine is CC1=CCN=NC(C)C1.
What is the InChIKey of 3,5-dimethyl-4,7-dihydro-3H-diazepine?
The InChIKey is BDAIRSNJQRUVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-3-4-8-9-7(2)5-6/h3,7H,4-5H2,1-2H3.
What are the key properties of 3,5-dimethyl-4,7-dihydro-3H-diazepine?
3,5-dimethyl-4,7-dihydro-3H-diazepine has a molecular weight of 124.19 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4,7-dihydro-3H-diazepine is sourced from PubChem (CID 57131723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).