N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide

C7H15N3 — CID 138493788

IUPACN'-[(E)-1-aminobut-1-en-2-yl]propanimidamide
SMILESCCC(=C\N)/N=C(/N)CC
InChIInChI=1S/C7H15N3/c1-3-6(5-8)10-7(9)4-2/h5H,3-4,8H2,1-2H3,(H2,9,10)/b6-5+
InChIKeyQBJIMTDFIRHRGY-AATRIKPKSA-N
MW141.22 g/mol
LogP0.96
Rot. Bonds3

About N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide

N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide (PubChem CID 138493788) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide.

Molecular Properties

Compound NameN'-[(E)-1-aminobut-1-en-2-yl]propanimidamide
PubChem CID138493788
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN'-[(E)-1-aminobut-1-en-2-yl]propanimidamide
SMILESCCC(=C\N)/N=C(/N)CC
InChIInChI=1S/C7H15N3/c1-3-6(5-8)10-7(9)4-2/h5H,3-4,8H2,1-2H3,(H2,9,10)/b6-5+
InChIKeyQBJIMTDFIRHRGY-AATRIKPKSA-N
XLogP0.96
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.96
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)-1-aminobut-1-en-2-yl]propanimidamide?
The IUPAC name of N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide (CID 138493788) is N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide.
What is the SMILES notation for N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide?
The canonical SMILES for N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide is CCC(=C\N)/N=C(/N)CC.
What is the InChIKey of N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide?
The InChIKey is QBJIMTDFIRHRGY-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-6(5-8)10-7(9)4-2/h5H,3-4,8H2,1-2H3,(H2,9,10)/b6-5+.
What are the key properties of N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide?
N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide has a molecular weight of 141.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-aminobut-1-en-2-yl]propanimidamide is sourced from PubChem (CID 138493788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).