N'-(ethylideneamino)-N-methylidenemethanimidamide

C4H7N3 — CID 123725112

IUPACN'-(ethylideneamino)-N-methylidenemethanimidamide
SMILESC=NC=NN=CC
InChIInChI=1S/C4H7N3/c1-3-6-7-4-5-2/h3-4H,2H2,1H3
InChIKeyMOTXBOXSCHEKPH-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.72
Rot. Bonds2

About N'-(ethylideneamino)-N-methylidenemethanimidamide

N'-(ethylideneamino)-N-methylidenemethanimidamide (PubChem CID 123725112) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is N'-(ethylideneamino)-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-(ethylideneamino)-N-methylidenemethanimidamide
PubChem CID123725112
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC NameN'-(ethylideneamino)-N-methylidenemethanimidamide
SMILESC=NC=NN=CC
InChIInChI=1S/C4H7N3/c1-3-6-7-4-5-2/h3-4H,2H2,1H3
InChIKeyMOTXBOXSCHEKPH-UHFFFAOYSA-N
XLogP0.72
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(ethylideneamino)-N-methylidenemethanimidamide?
The IUPAC name of N'-(ethylideneamino)-N-methylidenemethanimidamide (CID 123725112) is N'-(ethylideneamino)-N-methylidenemethanimidamide.
What is the SMILES notation for N'-(ethylideneamino)-N-methylidenemethanimidamide?
The canonical SMILES for N'-(ethylideneamino)-N-methylidenemethanimidamide is C=NC=NN=CC.
What is the InChIKey of N'-(ethylideneamino)-N-methylidenemethanimidamide?
The InChIKey is MOTXBOXSCHEKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-3-6-7-4-5-2/h3-4H,2H2,1H3.
What are the key properties of N'-(ethylideneamino)-N-methylidenemethanimidamide?
N'-(ethylideneamino)-N-methylidenemethanimidamide has a molecular weight of 97.12 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(ethylideneamino)-N-methylidenemethanimidamide is sourced from PubChem (CID 123725112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).