(E)-2-propylpent-2-en-4-ynimidamide

C8H12N2 — CID 137386621

IUPAC(E)-2-propylpent-2-en-4-ynimidamide
SMILES[H]/N=C(N)/C(=C/C#C)CCC
InChIInChI=1S/C8H12N2/c1-3-5-7(6-4-2)8(9)10/h1,5H,4,6H2,2H3,(H3,9,10)/b7-5+
InChIKeyZYYSTNQCPYUXCQ-FNORWQNLSA-N
MW136.20 g/mol
LogP1.28
Rot. Bonds3

About (E)-2-propylpent-2-en-4-ynimidamide

(E)-2-propylpent-2-en-4-ynimidamide (PubChem CID 137386621) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (E)-2-propylpent-2-en-4-ynimidamide.

Molecular Properties

Compound Name(E)-2-propylpent-2-en-4-ynimidamide
PubChem CID137386621
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(E)-2-propylpent-2-en-4-ynimidamide
SMILES[H]/N=C(N)/C(=C/C#C)CCC
InChIInChI=1S/C8H12N2/c1-3-5-7(6-4-2)8(9)10/h1,5H,4,6H2,2H3,(H3,9,10)/b7-5+
InChIKeyZYYSTNQCPYUXCQ-FNORWQNLSA-N
XLogP1.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-propylpent-2-en-4-ynimidamide?
The IUPAC name of (E)-2-propylpent-2-en-4-ynimidamide (CID 137386621) is (E)-2-propylpent-2-en-4-ynimidamide.
What is the SMILES notation for (E)-2-propylpent-2-en-4-ynimidamide?
The canonical SMILES for (E)-2-propylpent-2-en-4-ynimidamide is [H]/N=C(N)/C(=C/C#C)CCC.
What is the InChIKey of (E)-2-propylpent-2-en-4-ynimidamide?
The InChIKey is ZYYSTNQCPYUXCQ-FNORWQNLSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-7(6-4-2)8(9)10/h1,5H,4,6H2,2H3,(H3,9,10)/b7-5+.
What are the key properties of (E)-2-propylpent-2-en-4-ynimidamide?
(E)-2-propylpent-2-en-4-ynimidamide has a molecular weight of 136.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-propylpent-2-en-4-ynimidamide is sourced from PubChem (CID 137386621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).