N'-ethyl-N-prop-1-en-2-ylethanimidamide

C7H14N2 — CID 123768299

IUPACN'-ethyl-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/CC
InChIInChI=1S/C7H14N2/c1-5-8-7(4)9-6(2)3/h2,5H2,1,3-4H3,(H,8,9)
InChIKeyYISACFDYGWAHNF-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds2

About N'-ethyl-N-prop-1-en-2-ylethanimidamide

N'-ethyl-N-prop-1-en-2-ylethanimidamide (PubChem CID 123768299) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-ethyl-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-prop-1-en-2-ylethanimidamide
PubChem CID123768299
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-ethyl-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/CC
InChIInChI=1S/C7H14N2/c1-5-8-7(4)9-6(2)3/h2,5H2,1,3-4H3,(H,8,9)
InChIKeyYISACFDYGWAHNF-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 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 ≤ 51.55
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'-ethyl-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of N'-ethyl-N-prop-1-en-2-ylethanimidamide (CID 123768299) is N'-ethyl-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N'-ethyl-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N'-ethyl-N-prop-1-en-2-ylethanimidamide is C=C(C)N/C(C)=N/CC.
What is the InChIKey of N'-ethyl-N-prop-1-en-2-ylethanimidamide?
The InChIKey is YISACFDYGWAHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-8-7(4)9-6(2)3/h2,5H2,1,3-4H3,(H,8,9).
What are the key properties of N'-ethyl-N-prop-1-en-2-ylethanimidamide?
N'-ethyl-N-prop-1-en-2-ylethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 123768299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).