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

C7H12N2 — CID 123227184

IUPAC2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine
SMILESCC1=NCC(C)C=CN1
InChIInChI=1S/C7H12N2/c1-6-3-4-8-7(2)9-5-6/h3-4,6H,5H2,1-2H3,(H,8,9)
InChIKeyHFBUDSUEPIJSKN-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.16
Rot. Bonds

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

2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine (PubChem CID 123227184) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine.

Molecular Properties

Compound Name2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine
PubChem CID123227184
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine
SMILESCC1=NCC(C)C=CN1
InChIInChI=1S/C7H12N2/c1-6-3-4-8-7(2)9-5-6/h3-4,6H,5H2,1-2H3,(H,8,9)
InChIKeyHFBUDSUEPIJSKN-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1,4-dihydropyrimidine
CID 13432429
2-Methyl-1H-1,3-diazepine
CID 56992381
2-prop-2-enyl-1H-1,3-diazepine
CID 69249614
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545
(4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine
CID 89337028
N-[(Z)-but-1-enyl]-N'-methylethanimidamide
CID 89347354
2,4-Dimethyl-1,4-dihydropyrimidine
CID 89750388
N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide
CID 90370990
2-Propan-2-yl-1,4-dihydropyrimidine
CID 90888073
N,N'-bis(prop-1-enyl)ethanimidamide
CID 91212517
(3-Ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium
CID 91426073
5-methyl-4,5-dihydro-1H-1,3-diazepine
CID 91585897

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine?
The IUPAC name of 2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine (CID 123227184) is 2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine.
What is the SMILES notation for 2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine?
The canonical SMILES for 2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine is CC1=NCC(C)C=CN1.
What is the InChIKey of 2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine?
The InChIKey is HFBUDSUEPIJSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-3-4-8-7(2)9-5-6/h3-4,6H,5H2,1-2H3,(H,8,9).
What are the key properties of 2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine?
2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine has a molecular weight of 124.19 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine is sourced from PubChem (CID 123227184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).