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

C7H14N2 — CID 155397026

IUPACN'-[(E)-but-2-en-2-yl]propanimidamide
SMILESC/C=C(C)/N=C(/N)CC
InChIInChI=1S/C7H14N2/c1-4-6(3)9-7(8)5-2/h4H,5H2,1-3H3,(H2,8,9)/b6-4+
InChIKeyBAFMLVWHMMHEHU-GQCTYLIASA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds2

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

N'-[(E)-but-2-en-2-yl]propanimidamide (PubChem CID 155397026) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-[(E)-but-2-en-2-yl]propanimidamide.

Molecular Properties

Compound NameN'-[(E)-but-2-en-2-yl]propanimidamide
PubChem CID155397026
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-[(E)-but-2-en-2-yl]propanimidamide
SMILESC/C=C(C)/N=C(/N)CC
InChIInChI=1S/C7H14N2/c1-4-6(3)9-7(8)5-2/h4H,5H2,1-3H3,(H2,8,9)/b6-4+
InChIKeyBAFMLVWHMMHEHU-GQCTYLIASA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide
CID 123157371
2-Amino-4-methylazet
CID 129754864
5-methyl-3H-pyrrol-2-amine
CID 23595915
N'-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 88943771
(Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide
CID 89011161
N'-but-1-en-2-ylpropanimidamide
CID 89165814
N'-but-1-en-2-ylethanimidamide
CID 89331542
N'-[(Z)-but-2-en-2-yl]ethanimidamide
CID 89771603
(Z)-N'-but-2-en-2-ylbut-2-enimidamide
CID 91264634
N'-prop-1-en-2-ylethanimidamide
CID 91563328
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
N'-pent-2-en-2-ylethanimidamide
CID 123240673

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-2-en-2-yl]propanimidamide?
The IUPAC name of N'-[(E)-but-2-en-2-yl]propanimidamide (CID 155397026) is N'-[(E)-but-2-en-2-yl]propanimidamide.
What is the SMILES notation for N'-[(E)-but-2-en-2-yl]propanimidamide?
The canonical SMILES for N'-[(E)-but-2-en-2-yl]propanimidamide is C/C=C(C)/N=C(/N)CC.
What is the InChIKey of N'-[(E)-but-2-en-2-yl]propanimidamide?
The InChIKey is BAFMLVWHMMHEHU-GQCTYLIASA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6(3)9-7(8)5-2/h4H,5H2,1-3H3,(H2,8,9)/b6-4+.
What are the key properties of N'-[(E)-but-2-en-2-yl]propanimidamide?
N'-[(E)-but-2-en-2-yl]propanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-en-2-yl]propanimidamide is sourced from PubChem (CID 155397026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).