N'-(2-methylprop-1-enyl)propanimidamide

C7H14N2 — CID 89168246

IUPACN'-(2-methylprop-1-enyl)propanimidamide
SMILESCC/C(N)=N\C=C(C)C
InChIInChI=1S/C7H14N2/c1-4-7(8)9-5-6(2)3/h5H,4H2,1-3H3,(H2,8,9)
InChIKeyGLTXIQAZPCOHAS-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds2

About N'-(2-methylprop-1-enyl)propanimidamide

N'-(2-methylprop-1-enyl)propanimidamide (PubChem CID 89168246) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-(2-methylprop-1-enyl)propanimidamide.

Molecular Properties

Compound NameN'-(2-methylprop-1-enyl)propanimidamide
PubChem CID89168246
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-(2-methylprop-1-enyl)propanimidamide
SMILESCC/C(N)=N\C=C(C)C
InChIInChI=1S/C7H14N2/c1-4-7(8)9-5-6(2)3/h5H,4H2,1-3H3,(H2,8,9)
InChIKeyGLTXIQAZPCOHAS-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylprop-1-enyl)propanimidamide?
The IUPAC name of N'-(2-methylprop-1-enyl)propanimidamide (CID 89168246) is N'-(2-methylprop-1-enyl)propanimidamide.
What is the SMILES notation for N'-(2-methylprop-1-enyl)propanimidamide?
The canonical SMILES for N'-(2-methylprop-1-enyl)propanimidamide is CC/C(N)=N\C=C(C)C.
What is the InChIKey of N'-(2-methylprop-1-enyl)propanimidamide?
The InChIKey is GLTXIQAZPCOHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7(8)9-5-6(2)3/h5H,4H2,1-3H3,(H2,8,9).
What are the key properties of N'-(2-methylprop-1-enyl)propanimidamide?
N'-(2-methylprop-1-enyl)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'-(2-methylprop-1-enyl)propanimidamide is sourced from PubChem (CID 89168246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).