3-ethylpent-2-enimidamide

C7H14N2 — CID 154520789

IUPAC3-ethylpent-2-enimidamide
SMILES[H]/N=C(\N)C=C(CC)CC
InChIInChI=1S/C7H14N2/c1-3-6(4-2)5-7(8)9/h5H,3-4H2,1-2H3,(H3,8,9)
InChIKeyPITCBAXYZSSIPH-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.67
Rot. Bonds3

About 3-ethylpent-2-enimidamide

3-ethylpent-2-enimidamide (PubChem CID 154520789) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-ethylpent-2-enimidamide.

Molecular Properties

Compound Name3-ethylpent-2-enimidamide
PubChem CID154520789
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-ethylpent-2-enimidamide
SMILES[H]/N=C(\N)C=C(CC)CC
InChIInChI=1S/C7H14N2/c1-3-6(4-2)5-7(8)9/h5H,3-4H2,1-2H3,(H3,8,9)
InChIKeyPITCBAXYZSSIPH-UHFFFAOYSA-N
XLogP1.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.67
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpent-2-enimidamide?
The IUPAC name of 3-ethylpent-2-enimidamide (CID 154520789) is 3-ethylpent-2-enimidamide.
What is the SMILES notation for 3-ethylpent-2-enimidamide?
The canonical SMILES for 3-ethylpent-2-enimidamide is [H]/N=C(\N)C=C(CC)CC.
What is the InChIKey of 3-ethylpent-2-enimidamide?
The InChIKey is PITCBAXYZSSIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-6(4-2)5-7(8)9/h5H,3-4H2,1-2H3,(H3,8,9).
What are the key properties of 3-ethylpent-2-enimidamide?
3-ethylpent-2-enimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-2-enimidamide is sourced from PubChem (CID 154520789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).