N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide

C7H12N2 — CID 123239339

IUPACN'-[(E)-but-1-enyl]-N-ethenylmethanimidamide
SMILESC=CN/C=N/C=C/CC
InChIInChI=1S/C7H12N2/c1-3-5-6-9-7-8-4-2/h4-7H,2-3H2,1H3,(H,8,9)/b6-5+
InChIKeyWJMQTFNUMBRZDE-AATRIKPKSA-N
MW124.19 g/mol
LogP1.67
Rot. Bonds4

About N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide

N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide (PubChem CID 123239339) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide.

Molecular Properties

Compound NameN'-[(E)-but-1-enyl]-N-ethenylmethanimidamide
PubChem CID123239339
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-[(E)-but-1-enyl]-N-ethenylmethanimidamide
SMILESC=CN/C=N/C=C/CC
InChIInChI=1S/C7H12N2/c1-3-5-6-9-7-8-4-2/h4-7H,2-3H2,1H3,(H,8,9)/b6-5+
InChIKeyWJMQTFNUMBRZDE-AATRIKPKSA-N
XLogP1.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,4-Dihydropyrimidine
CID 5248048
1H-1,3-Diazepine
CID 12312962
4-Methyl-4-methylpyrimidine
CID 57075565
4-Methyl(4-amino)pyrimidine
CID 129876017
2-[(E)-but-1-enyl]guanidine
CID 19100513
2-But-1-enylguanidine
CID 53992378
2-Pent-1-enylguanidine
CID 54146156
N'-ethyl-N-prop-1-enylmethanimidamide
CID 54520223
4-Methyl-1,4-dihydropyrimidine
CID 55286629
CID 57456851
CID 57456851
1-prop-1-enyl-1H-imidazol-1-ium chloride
CID 86617951
Copper;1,2-dihydroimidazol-2-ide;prop-1-ene
CID 88618229

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide?
The IUPAC name of N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide (CID 123239339) is N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide.
What is the SMILES notation for N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide?
The canonical SMILES for N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide is C=CN/C=N/C=C/CC.
What is the InChIKey of N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide?
The InChIKey is WJMQTFNUMBRZDE-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-6-9-7-8-4-2/h4-7H,2-3H2,1H3,(H,8,9)/b6-5+.
What are the key properties of N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide?
N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide is sourced from PubChem (CID 123239339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).