2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide

C7H12N4 — CID 89378957

IUPAC2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide
SMILESC=C(/N=C/C)/C(N)=N\C=N\C
InChIInChI=1S/C7H12N4/c1-4-10-6(2)7(8)11-5-9-3/h4-5H,2H2,1,3H3,(H2,8,9,11)/b10-4+
InChIKeyMEZHMTSAKJHXIH-ONNFQVAWSA-N
MW152.20 g/mol
LogP0.61
Rot. Bonds3

About 2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide

2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide (PubChem CID 89378957) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide.

Molecular Properties

Compound Name2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide
PubChem CID89378957
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide
SMILESC=C(/N=C/C)/C(N)=N\C=N\C
InChIInChI=1S/C7H12N4/c1-4-10-6(2)7(8)11-5-9-3/h4-5H,2H2,1,3H3,(H2,8,9,11)/b10-4+
InChIKeyMEZHMTSAKJHXIH-ONNFQVAWSA-N
XLogP0.61
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
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-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide?
The IUPAC name of 2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide (CID 89378957) is 2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide.
What is the SMILES notation for 2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide?
The canonical SMILES for 2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide is C=C(/N=C/C)/C(N)=N\C=N\C.
What is the InChIKey of 2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide?
The InChIKey is MEZHMTSAKJHXIH-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H12N4/c1-4-10-6(2)7(8)11-5-9-3/h4-5H,2H2,1,3H3,(H2,8,9,11)/b10-4+.
What are the key properties of 2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide?
2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide has a molecular weight of 152.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide is sourced from PubChem (CID 89378957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).