N-ethenyl-2-imino-N'-methylethanimidamide

C5H9N3 — CID 134444064

IUPACN-ethenyl-2-imino-N'-methylethanimidamide
SMILES[H]/N=C/C(=N\C)NC=C
InChIInChI=1S/C5H9N3/c1-3-8-5(4-6)7-2/h3-4,6H,1H2,2H3,(H,7,8)/b6-4+
InChIKeyHDLULLIUKDNCEH-GQCTYLIASA-N
MW111.15 g/mol
LogP0.40
Rot. Bonds2

About N-ethenyl-2-imino-N'-methylethanimidamide

N-ethenyl-2-imino-N'-methylethanimidamide (PubChem CID 134444064) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-ethenyl-2-imino-N'-methylethanimidamide.

Molecular Properties

Compound NameN-ethenyl-2-imino-N'-methylethanimidamide
PubChem CID134444064
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-ethenyl-2-imino-N'-methylethanimidamide
SMILES[H]/N=C/C(=N\C)NC=C
InChIInChI=1S/C5H9N3/c1-3-8-5(4-6)7-2/h3-4,6H,1H2,2H3,(H,7,8)/b6-4+
InChIKeyHDLULLIUKDNCEH-GQCTYLIASA-N
XLogP0.40
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-2-imino-N'-methylethanimidamide?
The IUPAC name of N-ethenyl-2-imino-N'-methylethanimidamide (CID 134444064) is N-ethenyl-2-imino-N'-methylethanimidamide.
What is the SMILES notation for N-ethenyl-2-imino-N'-methylethanimidamide?
The canonical SMILES for N-ethenyl-2-imino-N'-methylethanimidamide is [H]/N=C/C(=N\C)NC=C.
What is the InChIKey of N-ethenyl-2-imino-N'-methylethanimidamide?
The InChIKey is HDLULLIUKDNCEH-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9N3/c1-3-8-5(4-6)7-2/h3-4,6H,1H2,2H3,(H,7,8)/b6-4+.
What are the key properties of N-ethenyl-2-imino-N'-methylethanimidamide?
N-ethenyl-2-imino-N'-methylethanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-imino-N'-methylethanimidamide is sourced from PubChem (CID 134444064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).