N'-[(E)-pent-1-enyl]ethanimidamide

C7H14N2 — CID 57091878

IUPACN'-[(E)-pent-1-enyl]ethanimidamide
SMILESCCC/C=C/N=C(\C)N
InChIInChI=1S/C7H14N2/c1-3-4-5-6-9-7(2)8/h5-6H,3-4H2,1-2H3,(H2,8,9)/b6-5+
InChIKeyOSHZGRIDXNLOHT-AATRIKPKSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds3

About N'-[(E)-pent-1-enyl]ethanimidamide

N'-[(E)-pent-1-enyl]ethanimidamide (PubChem CID 57091878) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-[(E)-pent-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-pent-1-enyl]ethanimidamide
PubChem CID57091878
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-[(E)-pent-1-enyl]ethanimidamide
SMILESCCC/C=C/N=C(\C)N
InChIInChI=1S/C7H14N2/c1-3-4-5-6-9-7(2)8/h5-6H,3-4H2,1-2H3,(H2,8,9)/b6-5+
InChIKeyOSHZGRIDXNLOHT-AATRIKPKSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-pent-1-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-pent-1-enyl]ethanimidamide (CID 57091878) is N'-[(E)-pent-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-pent-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-pent-1-enyl]ethanimidamide is CCC/C=C/N=C(\C)N.
What is the InChIKey of N'-[(E)-pent-1-enyl]ethanimidamide?
The InChIKey is OSHZGRIDXNLOHT-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-4-5-6-9-7(2)8/h5-6H,3-4H2,1-2H3,(H2,8,9)/b6-5+.
What are the key properties of N'-[(E)-pent-1-enyl]ethanimidamide?
N'-[(E)-pent-1-enyl]ethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-pent-1-enyl]ethanimidamide is sourced from PubChem (CID 57091878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).