N'-ethylbutanimidamide

C6H14N2 — CID 18952229

IUPACN'-ethylbutanimidamide
SMILESCCC/C(N)=N\CC
InChIInChI=1S/C6H14N2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3,(H2,7,8)
InChIKeyATKQGJCZCTVLNR-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.16
Rot. Bonds3

About N'-ethylbutanimidamide

N'-ethylbutanimidamide (PubChem CID 18952229) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N'-ethylbutanimidamide.

Molecular Properties

Compound NameN'-ethylbutanimidamide
PubChem CID18952229
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN'-ethylbutanimidamide
SMILESCCC/C(N)=N\CC
InChIInChI=1S/C6H14N2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3,(H2,7,8)
InChIKeyATKQGJCZCTVLNR-UHFFFAOYSA-N
XLogP1.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.16
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'-ethylbutanimidamide?
The IUPAC name of N'-ethylbutanimidamide (CID 18952229) is N'-ethylbutanimidamide.
What is the SMILES notation for N'-ethylbutanimidamide?
The canonical SMILES for N'-ethylbutanimidamide is CCC/C(N)=N\CC.
What is the InChIKey of N'-ethylbutanimidamide?
The InChIKey is ATKQGJCZCTVLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3,(H2,7,8).
What are the key properties of N'-ethylbutanimidamide?
N'-ethylbutanimidamide has a molecular weight of 114.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylbutanimidamide is sourced from PubChem (CID 18952229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).