N-ethylidene-N'-methanimidoylethanimidamide

C5H9N3 — CID 88586883

IUPACN-ethylidene-N'-methanimidoylethanimidamide
SMILES[H]/N=C/N=C(C)/N=C/C
InChIInChI=1S/C5H9N3/c1-3-7-5(2)8-4-6/h3-4,6H,1-2H3/b6-4+,7-3+,8-5+
InChIKeyCTWVVDGHVADVHZ-NLZHIDBLSA-N
MW111.15 g/mol
LogP1.10
Rot. Bonds1

About N-ethylidene-N'-methanimidoylethanimidamide

N-ethylidene-N'-methanimidoylethanimidamide (PubChem CID 88586883) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-ethylidene-N'-methanimidoylethanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-methanimidoylethanimidamide
PubChem CID88586883
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-ethylidene-N'-methanimidoylethanimidamide
SMILES[H]/N=C/N=C(C)/N=C/C
InChIInChI=1S/C5H9N3/c1-3-7-5(2)8-4-6/h3-4,6H,1-2H3/b6-4+,7-3+,8-5+
InChIKeyCTWVVDGHVADVHZ-NLZHIDBLSA-N
XLogP1.10
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 51.10
H-Bond Donors ≤ 51
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-ethylidene-N'-methanimidoylethanimidamide?
The IUPAC name of N-ethylidene-N'-methanimidoylethanimidamide (CID 88586883) is N-ethylidene-N'-methanimidoylethanimidamide.
What is the SMILES notation for N-ethylidene-N'-methanimidoylethanimidamide?
The canonical SMILES for N-ethylidene-N'-methanimidoylethanimidamide is [H]/N=C/N=C(C)/N=C/C.
What is the InChIKey of N-ethylidene-N'-methanimidoylethanimidamide?
The InChIKey is CTWVVDGHVADVHZ-NLZHIDBLSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-7-5(2)8-4-6/h3-4,6H,1-2H3/b6-4+,7-3+,8-5+.
What are the key properties of N-ethylidene-N'-methanimidoylethanimidamide?
N-ethylidene-N'-methanimidoylethanimidamide has a molecular weight of 111.15 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-methanimidoylethanimidamide is sourced from PubChem (CID 88586883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).