3-(1-aminoprop-2-enylideneamino)propanimidamide

C6H12N4 — CID 163990769

IUPAC3-(1-aminoprop-2-enylideneamino)propanimidamide
SMILES[H]/N=C(\N)CC/N=C(/N)C=C
InChIInChI=1S/C6H12N4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H3,7,8)(H2,9,10)
InChIKeyUALGJNXLQSSTKX-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.14
Rot. Bonds4

About 3-(1-aminoprop-2-enylideneamino)propanimidamide

3-(1-aminoprop-2-enylideneamino)propanimidamide (PubChem CID 163990769) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(1-aminoprop-2-enylideneamino)propanimidamide.

Molecular Properties

Compound Name3-(1-aminoprop-2-enylideneamino)propanimidamide
PubChem CID163990769
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name3-(1-aminoprop-2-enylideneamino)propanimidamide
SMILES[H]/N=C(\N)CC/N=C(/N)C=C
InChIInChI=1S/C6H12N4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H3,7,8)(H2,9,10)
InChIKeyUALGJNXLQSSTKX-UHFFFAOYSA-N
XLogP-0.14
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
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 3-(1-aminoprop-2-enylideneamino)propanimidamide?
The IUPAC name of 3-(1-aminoprop-2-enylideneamino)propanimidamide (CID 163990769) is 3-(1-aminoprop-2-enylideneamino)propanimidamide.
What is the SMILES notation for 3-(1-aminoprop-2-enylideneamino)propanimidamide?
The canonical SMILES for 3-(1-aminoprop-2-enylideneamino)propanimidamide is [H]/N=C(\N)CC/N=C(/N)C=C.
What is the InChIKey of 3-(1-aminoprop-2-enylideneamino)propanimidamide?
The InChIKey is UALGJNXLQSSTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H3,7,8)(H2,9,10).
What are the key properties of 3-(1-aminoprop-2-enylideneamino)propanimidamide?
3-(1-aminoprop-2-enylideneamino)propanimidamide has a molecular weight of 140.19 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoprop-2-enylideneamino)propanimidamide is sourced from PubChem (CID 163990769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).