N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide

C4H9N3 — CID 143425342

IUPACN'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide
SMILESCC(=C/N)/N=C/N
InChIInChI=1S/C4H9N3/c1-4(2-5)7-3-6/h2-3H,5H2,1H3,(H2,6,7)/b4-2-
InChIKeyKDTJJNSHHUHKGS-RQOWECAXSA-N
MW99.14 g/mol
LogP-0.21
Rot. Bonds1

About N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide

N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide (PubChem CID 143425342) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide
PubChem CID143425342
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC NameN'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide
SMILESCC(=C/N)/N=C/N
InChIInChI=1S/C4H9N3/c1-4(2-5)7-3-6/h2-3H,5H2,1H3,(H2,6,7)/b4-2-
InChIKeyKDTJJNSHHUHKGS-RQOWECAXSA-N
XLogP-0.21
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.21
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 N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide (CID 143425342) is N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide is CC(=C/N)/N=C/N.
What is the InChIKey of N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide?
The InChIKey is KDTJJNSHHUHKGS-RQOWECAXSA-N. The full InChI is InChI=1S/C4H9N3/c1-4(2-5)7-3-6/h2-3H,5H2,1H3,(H2,6,7)/b4-2-.
What are the key properties of N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide?
N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide has a molecular weight of 99.14 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide is sourced from PubChem (CID 143425342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).