N-ethenyl-N-methylmethanimidamide

C4H8N2 — CID 90774590

IUPACN-ethenyl-N-methylmethanimidamide
SMILES[H]/N=C/N(C)C=C
InChIInChI=1S/C4H8N2/c1-3-6(2)4-5/h3-5H,1H2,2H3/b5-4+
InChIKeyRHUXDKXBYFQRLO-SNAWJCMRSA-N
MW84.12 g/mol
LogP0.67
Rot. Bonds2

About N-ethenyl-N-methylmethanimidamide

N-ethenyl-N-methylmethanimidamide (PubChem CID 90774590) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is N-ethenyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-methylmethanimidamide
PubChem CID90774590
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC NameN-ethenyl-N-methylmethanimidamide
SMILES[H]/N=C/N(C)C=C
InChIInChI=1S/C4H8N2/c1-3-6(2)4-5/h3-5H,1H2,2H3/b5-4+
InChIKeyRHUXDKXBYFQRLO-SNAWJCMRSA-N
XLogP0.67
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.67
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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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methylmethanimidamide?
The IUPAC name of N-ethenyl-N-methylmethanimidamide (CID 90774590) is N-ethenyl-N-methylmethanimidamide.
What is the SMILES notation for N-ethenyl-N-methylmethanimidamide?
The canonical SMILES for N-ethenyl-N-methylmethanimidamide is [H]/N=C/N(C)C=C.
What is the InChIKey of N-ethenyl-N-methylmethanimidamide?
The InChIKey is RHUXDKXBYFQRLO-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H8N2/c1-3-6(2)4-5/h3-5H,1H2,2H3/b5-4+.
What are the key properties of N-ethenyl-N-methylmethanimidamide?
N-ethenyl-N-methylmethanimidamide has a molecular weight of 84.12 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methylmethanimidamide is sourced from PubChem (CID 90774590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).