N-ethenyl-N-methylpropanimidamide

C6H12N2 — CID 142516350

IUPACN-ethenyl-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)C=C
InChIInChI=1S/C6H12N2/c1-4-6(7)8(3)5-2/h5,7H,2,4H2,1,3H3/b7-6+
InChIKeyGVGWNXKQZXJPJK-VOTSOKGWSA-N
MW112.18 g/mol
LogP1.45
Rot. Bonds2

About N-ethenyl-N-methylpropanimidamide

N-ethenyl-N-methylpropanimidamide (PubChem CID 142516350) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-ethenyl-N-methylpropanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-methylpropanimidamide
PubChem CID142516350
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-ethenyl-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)C=C
InChIInChI=1S/C6H12N2/c1-4-6(7)8(3)5-2/h5,7H,2,4H2,1,3H3/b7-6+
InChIKeyGVGWNXKQZXJPJK-VOTSOKGWSA-N
XLogP1.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.45
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

N-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 89893482
N-ethenyl-N-propylpropanimidamide
CID 90299150
1-methyl-3H-pyrrol-2-imine
CID 100937012
N'-ethenyl-N,N-dimethylpropanimidamide
CID 117626263
N-ethenyl-N-methylethanimidamide
CID 123610848
N-methyl-N-prop-1-enylethanimidamide
CID 123961702
N-ethenyl-N,N'-dimethylpropanimidamide
CID 134554083
N-ethenyl-N-ethylethanimidamide
CID 134603376
N-ethenyl-N-ethylpropanimidamide
CID 134603481
ethane;N-ethenyl-N-methylpropanimidamide;propane
CID 142516349
N-methyl-N-[(Z)-prop-1-enyl]propanimidamide
CID 143038070
N-methyl-N-[(E)-prop-1-enyl]ethanimidamide
CID 143200690

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methylpropanimidamide?
The IUPAC name of N-ethenyl-N-methylpropanimidamide (CID 142516350) is N-ethenyl-N-methylpropanimidamide.
What is the SMILES notation for N-ethenyl-N-methylpropanimidamide?
The canonical SMILES for N-ethenyl-N-methylpropanimidamide is [H]/N=C(\CC)N(C)C=C.
What is the InChIKey of N-ethenyl-N-methylpropanimidamide?
The InChIKey is GVGWNXKQZXJPJK-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-6(7)8(3)5-2/h5,7H,2,4H2,1,3H3/b7-6+.
What are the key properties of N-ethenyl-N-methylpropanimidamide?
N-ethenyl-N-methylpropanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methylpropanimidamide is sourced from PubChem (CID 142516350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).