2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine

C7H12N2 — CID 123916576

IUPAC2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine
SMILESC=NC(=C)N=CC(C)C
InChIInChI=1S/C7H12N2/c1-6(2)5-9-7(3)8-4/h5-6H,3-4H2,1-2H3
InChIKeyPFQUEOYUZPEBFO-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.88
Rot. Bonds3

About 2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine

2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine (PubChem CID 123916576) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine
PubChem CID123916576
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine
SMILESC=NC(=C)N=CC(C)C
InChIInChI=1S/C7H12N2/c1-6(2)5-9-7(3)8-4/h5-6H,3-4H2,1-2H3
InChIKeyPFQUEOYUZPEBFO-UHFFFAOYSA-N
XLogP1.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.88
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

N-ethenyl-2-methylpropan-1-imine
CID 14792733
1-(2-Methylpropylideneamino)ethenamine
CID 58545046
N-[1-(methylideneamino)ethenyl]ethanimine
CID 90690774
N-[1-(methylideneamino)ethenyl]butan-1-imine
CID 90810945
N-[1-(methylideneamino)ethenyl]propan-1-imine
CID 91042440
2-Methylidene-4-propan-2-ylimidazole
CID 117682124
N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide
CID 129239004
2-methyl-N-[(E)-2-(methylideneamino)ethenyl]butan-1-imine
CID 135292269
(Z)-N-[1-[(Z)-ethylideneamino]ethenyl]ethanimine
CID 142074113
6-methyl-6H-1,4-diazepine
CID 143347492
ethane;6-methyl-6H-1,4-diazepine
CID 144897438
1-(Propylideneamino)ethenamine
CID 154548157

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine?
The IUPAC name of 2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine (CID 123916576) is 2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine.
What is the SMILES notation for 2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine?
The canonical SMILES for 2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine is C=NC(=C)N=CC(C)C.
What is the InChIKey of 2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine?
The InChIKey is PFQUEOYUZPEBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)5-9-7(3)8-4/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine?
2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine has a molecular weight of 124.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(methylideneamino)ethenyl]propan-1-imine is sourced from PubChem (CID 123916576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).