N'-but-1-en-2-ylpropanimidamide

C7H14N2 — CID 89165814

IUPACN'-but-1-en-2-ylpropanimidamide
SMILESC=C(CC)/N=C(/N)CC
InChIInChI=1S/C7H14N2/c1-4-6(3)9-7(8)5-2/h3-5H2,1-2H3,(H2,8,9)
InChIKeyPHCIQEBIYGARAH-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds3

About N'-but-1-en-2-ylpropanimidamide

N'-but-1-en-2-ylpropanimidamide (PubChem CID 89165814) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-but-1-en-2-ylpropanimidamide.

Molecular Properties

Compound NameN'-but-1-en-2-ylpropanimidamide
PubChem CID89165814
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-but-1-en-2-ylpropanimidamide
SMILESC=C(CC)/N=C(/N)CC
InChIInChI=1S/C7H14N2/c1-4-6(3)9-7(8)5-2/h3-5H2,1-2H3,(H2,8,9)
InChIKeyPHCIQEBIYGARAH-UHFFFAOYSA-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'-but-1-en-2-ylpropanimidamide?
The IUPAC name of N'-but-1-en-2-ylpropanimidamide (CID 89165814) is N'-but-1-en-2-ylpropanimidamide.
What is the SMILES notation for N'-but-1-en-2-ylpropanimidamide?
The canonical SMILES for N'-but-1-en-2-ylpropanimidamide is C=C(CC)/N=C(/N)CC.
What is the InChIKey of N'-but-1-en-2-ylpropanimidamide?
The InChIKey is PHCIQEBIYGARAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6(3)9-7(8)5-2/h3-5H2,1-2H3,(H2,8,9).
What are the key properties of N'-but-1-en-2-ylpropanimidamide?
N'-but-1-en-2-ylpropanimidamide 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'-but-1-en-2-ylpropanimidamide is sourced from PubChem (CID 89165814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).