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

C7H12N2 — CID 142224397

IUPAC1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
SMILESC=C1CCCN=CN1C
InChIInChI=1S/C7H12N2/c1-7-4-3-5-8-6-9(7)2/h6H,1,3-5H2,2H3
InChIKeyNHHSXDQHGBXZFE-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds

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

1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine (PubChem CID 142224397) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine.

Molecular Properties

Compound Name1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
PubChem CID142224397
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
SMILESC=C1CCCN=CN1C
InChIInChI=1S/C7H12N2/c1-7-4-3-5-8-6-9(7)2/h6H,1,3-5H2,2H3
InChIKeyNHHSXDQHGBXZFE-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91610482
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But-1-en-2-yl-dimethyl-(methyliminomethyl)azanium
CID 123840682
1,7-Dimethyl-1,3,5-triazepine
CID 129300917
ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
CID 142224396
2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
CID 143829285
N-methyl-1-(2-methylidenepyrrolidin-1-yl)methanimine
CID 145316269
N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide
CID 146389581
N-but-1-en-2-yl-N,N'-dimethylmethanimidamide
CID 142934721

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
The IUPAC name of 1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine (CID 142224397) is 1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine.
What is the SMILES notation for 1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
The canonical SMILES for 1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine is C=C1CCCN=CN1C.
What is the InChIKey of 1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
The InChIKey is NHHSXDQHGBXZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7-4-3-5-8-6-9(7)2/h6H,1,3-5H2,2H3.
What are the key properties of 1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine has a molecular weight of 124.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine is sourced from PubChem (CID 142224397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).