N'-(ethenyliminomethyl)-N-ethylideneethanimidamide

C7H11N3 — CID 147213919

IUPACN'-(ethenyliminomethyl)-N-ethylideneethanimidamide
SMILESC=C/N=C/N=C(C)/N=C/C
InChIInChI=1S/C7H11N3/c1-4-8-6-10-7(3)9-5-2/h4-6H,1H2,2-3H3/b8-6+,9-5+,10-7+
InChIKeyQXUAATDPYWMUHO-PYJDZRBVSA-N
MW137.19 g/mol
LogP1.67
Rot. Bonds2

About N'-(ethenyliminomethyl)-N-ethylideneethanimidamide

N'-(ethenyliminomethyl)-N-ethylideneethanimidamide (PubChem CID 147213919) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N'-(ethenyliminomethyl)-N-ethylideneethanimidamide.

Molecular Properties

Compound NameN'-(ethenyliminomethyl)-N-ethylideneethanimidamide
PubChem CID147213919
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN'-(ethenyliminomethyl)-N-ethylideneethanimidamide
SMILESC=C/N=C/N=C(C)/N=C/C
InChIInChI=1S/C7H11N3/c1-4-8-6-10-7(3)9-5-2/h4-6H,1H2,2-3H3/b8-6+,9-5+,10-7+
InChIKeyQXUAATDPYWMUHO-PYJDZRBVSA-N
XLogP1.67
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.67
H-Bond Donors ≤ 50
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'-(ethenyliminomethyl)-N-ethylideneethanimidamide?
The IUPAC name of N'-(ethenyliminomethyl)-N-ethylideneethanimidamide (CID 147213919) is N'-(ethenyliminomethyl)-N-ethylideneethanimidamide.
What is the SMILES notation for N'-(ethenyliminomethyl)-N-ethylideneethanimidamide?
The canonical SMILES for N'-(ethenyliminomethyl)-N-ethylideneethanimidamide is C=C/N=C/N=C(C)/N=C/C.
What is the InChIKey of N'-(ethenyliminomethyl)-N-ethylideneethanimidamide?
The InChIKey is QXUAATDPYWMUHO-PYJDZRBVSA-N. The full InChI is InChI=1S/C7H11N3/c1-4-8-6-10-7(3)9-5-2/h4-6H,1H2,2-3H3/b8-6+,9-5+,10-7+.
What are the key properties of N'-(ethenyliminomethyl)-N-ethylideneethanimidamide?
N'-(ethenyliminomethyl)-N-ethylideneethanimidamide has a molecular weight of 137.19 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(ethenyliminomethyl)-N-ethylideneethanimidamide is sourced from PubChem (CID 147213919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).