2-(propylideneamino)ethanimidamide

C5H11N3 — CID 58218957

IUPAC2-(propylideneamino)ethanimidamide
SMILES[H]/N=C(\N)C/N=C/CC
InChIInChI=1S/C5H11N3/c1-2-3-8-4-5(6)7/h3H,2,4H2,1H3,(H3,6,7)/b8-3+
InChIKeyFECROEOJNSWALE-FPYGCLRLSA-N
MW113.16 g/mol
LogP0.40
Rot. Bonds3

About 2-(propylideneamino)ethanimidamide

2-(propylideneamino)ethanimidamide (PubChem CID 58218957) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-(propylideneamino)ethanimidamide.

Molecular Properties

Compound Name2-(propylideneamino)ethanimidamide
PubChem CID58218957
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-(propylideneamino)ethanimidamide
SMILES[H]/N=C(\N)C/N=C/CC
InChIInChI=1S/C5H11N3/c1-2-3-8-4-5(6)7/h3H,2,4H2,1H3,(H3,6,7)/b8-3+
InChIKeyFECROEOJNSWALE-FPYGCLRLSA-N
XLogP0.40
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.40
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-(propylideneamino)ethanimidamide?
The IUPAC name of 2-(propylideneamino)ethanimidamide (CID 58218957) is 2-(propylideneamino)ethanimidamide.
What is the SMILES notation for 2-(propylideneamino)ethanimidamide?
The canonical SMILES for 2-(propylideneamino)ethanimidamide is [H]/N=C(\N)C/N=C/CC.
What is the InChIKey of 2-(propylideneamino)ethanimidamide?
The InChIKey is FECROEOJNSWALE-FPYGCLRLSA-N. The full InChI is InChI=1S/C5H11N3/c1-2-3-8-4-5(6)7/h3H,2,4H2,1H3,(H3,6,7)/b8-3+.
What are the key properties of 2-(propylideneamino)ethanimidamide?
2-(propylideneamino)ethanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylideneamino)ethanimidamide is sourced from PubChem (CID 58218957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).