N'-[(E)-2-aminobut-1-enyl]methanimidamide

C5H11N3 — CID 130373839

IUPACN'-[(E)-2-aminobut-1-enyl]methanimidamide
SMILESCC/C(N)=C\N=C\N
InChIInChI=1S/C5H11N3/c1-2-5(7)3-8-4-6/h3-4H,2,7H2,1H3,(H2,6,8)/b5-3+
InChIKeyLFRZXQOYHLTZDO-HWKANZROSA-N
MW113.16 g/mol
LogP0.18
Rot. Bonds2

About N'-[(E)-2-aminobut-1-enyl]methanimidamide

N'-[(E)-2-aminobut-1-enyl]methanimidamide (PubChem CID 130373839) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N'-[(E)-2-aminobut-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-aminobut-1-enyl]methanimidamide
PubChem CID130373839
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN'-[(E)-2-aminobut-1-enyl]methanimidamide
SMILESCC/C(N)=C\N=C\N
InChIInChI=1S/C5H11N3/c1-2-5(7)3-8-4-6/h3-4H,2,7H2,1H3,(H2,6,8)/b5-3+
InChIKeyLFRZXQOYHLTZDO-HWKANZROSA-N
XLogP0.18
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.18
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'-[(E)-2-aminobut-1-enyl]methanimidamide?
The IUPAC name of N'-[(E)-2-aminobut-1-enyl]methanimidamide (CID 130373839) is N'-[(E)-2-aminobut-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(E)-2-aminobut-1-enyl]methanimidamide?
The canonical SMILES for N'-[(E)-2-aminobut-1-enyl]methanimidamide is CC/C(N)=C\N=C\N.
What is the InChIKey of N'-[(E)-2-aminobut-1-enyl]methanimidamide?
The InChIKey is LFRZXQOYHLTZDO-HWKANZROSA-N. The full InChI is InChI=1S/C5H11N3/c1-2-5(7)3-8-4-6/h3-4H,2,7H2,1H3,(H2,6,8)/b5-3+.
What are the key properties of N'-[(E)-2-aminobut-1-enyl]methanimidamide?
N'-[(E)-2-aminobut-1-enyl]methanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-aminobut-1-enyl]methanimidamide is sourced from PubChem (CID 130373839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).