2-(1-aminoethylideneamino)-N'-methylethanimidamide

C5H12N4 — CID 153258172

IUPAC2-(1-aminoethylideneamino)-N'-methylethanimidamide
SMILESC/N=C(\N)C/N=C(\C)N
InChIInChI=1S/C5H12N4/c1-4(6)9-3-5(7)8-2/h3H2,1-2H3,(H2,6,9)(H2,7,8)
InChIKeyWURNKWNRFZZTEA-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.65
Rot. Bonds2

About 2-(1-aminoethylideneamino)-N'-methylethanimidamide

2-(1-aminoethylideneamino)-N'-methylethanimidamide (PubChem CID 153258172) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)-N'-methylethanimidamide.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)-N'-methylethanimidamide
PubChem CID153258172
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name2-(1-aminoethylideneamino)-N'-methylethanimidamide
SMILESC/N=C(\N)C/N=C(\C)N
InChIInChI=1S/C5H12N4/c1-4(6)9-3-5(7)8-2/h3H2,1-2H3,(H2,6,9)(H2,7,8)
InChIKeyWURNKWNRFZZTEA-UHFFFAOYSA-N
XLogP-0.65
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.65
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 2-(1-aminoethylideneamino)-N'-methylethanimidamide?
The IUPAC name of 2-(1-aminoethylideneamino)-N'-methylethanimidamide (CID 153258172) is 2-(1-aminoethylideneamino)-N'-methylethanimidamide.
What is the SMILES notation for 2-(1-aminoethylideneamino)-N'-methylethanimidamide?
The canonical SMILES for 2-(1-aminoethylideneamino)-N'-methylethanimidamide is C/N=C(\N)C/N=C(\C)N.
What is the InChIKey of 2-(1-aminoethylideneamino)-N'-methylethanimidamide?
The InChIKey is WURNKWNRFZZTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4/c1-4(6)9-3-5(7)8-2/h3H2,1-2H3,(H2,6,9)(H2,7,8).
What are the key properties of 2-(1-aminoethylideneamino)-N'-methylethanimidamide?
2-(1-aminoethylideneamino)-N'-methylethanimidamide has a molecular weight of 128.18 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)-N'-methylethanimidamide is sourced from PubChem (CID 153258172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).