2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine

C8H14N2 — CID 143829285

IUPAC2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
SMILESC=C1CCCN(C)C(C)=N1
InChIInChI=1S/C8H14N2/c1-7-5-4-6-10(3)8(2)9-7/h1,4-6H2,2-3H3
InChIKeyMSYSSHDZDZAKCX-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds

About 2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine

2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine (PubChem CID 143829285) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine.

Molecular Properties

Compound Name2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
PubChem CID143829285
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
SMILESC=C1CCCN(C)C(C)=N1
InChIInChI=1S/C8H14N2/c1-7-5-4-6-10(3)8(2)9-7/h1,4-6H2,2-3H3
InChIKeyMSYSSHDZDZAKCX-UHFFFAOYSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-5-methylidene-4H-imidazole
CID 142929765
1-methylpyrrolidin-2-one;urea
CID 141281161
(2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde
CID 45092485
1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide
CID 172820210
methanethiol;1-methylpyrrolidin-2-one
CID 174894965
methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate
CID 74890594
1,2-dimethyl-5,6,7,8-tetrahydro-4H-1,3-diazocine
CID 166904539
1-methylpyrrolidin-2-one;propan-1-ol
CID 22151758
ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol
CID 142164978
1-methylpyrrolidin-2-one;oxetane
CID 170438379
diethyl 2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanedioate
CID 130327972
ethane;1-methyl-2-methylideneazetidine
CID 166532028

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
The IUPAC name of 2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine (CID 143829285) is 2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine.
What is the SMILES notation for 2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
The canonical SMILES for 2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine is C=C1CCCN(C)C(C)=N1.
What is the InChIKey of 2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
The InChIKey is MSYSSHDZDZAKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-5-4-6-10(3)8(2)9-7/h1,4-6H2,2-3H3.
What are the key properties of 2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine is sourced from PubChem (CID 143829285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).