2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine

C7H12N2 — CID 123652433

IUPAC2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine
SMILESCC=C/N=C/C(C)=N/C
InChIInChI=1S/C7H12N2/c1-4-5-9-6-7(2)8-3/h4-6H,1-3H3/b5-4?,8-7+,9-6+
InChIKeyJONQCTBZOXZOMA-SLBDLNDOSA-N
MW124.19 g/mol
LogP1.68
Rot. Bonds2

About 2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine

2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine (PubChem CID 123652433) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine.

Molecular Properties

Compound Name2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine
PubChem CID123652433
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine
SMILESCC=C/N=C/C(C)=N/C
InChIInChI=1S/C7H12N2/c1-4-5-9-6-7(2)8-3/h4-6H,1-3H3/b5-4?,8-7+,9-6+
InChIKeyJONQCTBZOXZOMA-SLBDLNDOSA-N
XLogP1.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-(Prop-1-en-1-yl)propan-1-imine
CID 54113889
N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
2-N-methyl-1-N-(3,3,3-trifluoroprop-1-enyl)propane-1,2-diimine
CID 123146304
2,5-Diaza-octatetraene
CID 129694245
butan-2-one N-(buta-1,3-dienyl)imine
CID 129873688
propan-2-one N-(buta-1,3-dienyl)imine
CID 129873715
2-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]propane-1,2-diimine
CID 162602142
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
N-[(E)-prop-1-enyl]propan-1-imine
CID 12603153
N-[(E)-prop-1-enyl]ethanimine
CID 13099165
N-propan-2-yl-4H-pyridin-3-imine
CID 19384805
2,3-Dihydro-1,5-diazocine
CID 53737705

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine?
The IUPAC name of 2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine (CID 123652433) is 2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine.
What is the SMILES notation for 2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine?
The canonical SMILES for 2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine is CC=C/N=C/C(C)=N/C.
What is the InChIKey of 2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine?
The InChIKey is JONQCTBZOXZOMA-SLBDLNDOSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-5-9-6-7(2)8-3/h4-6H,1-3H3/b5-4?,8-7+,9-6+.
What are the key properties of 2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine?
2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine is sourced from PubChem (CID 123652433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).