3-ethanimidoyl-N-ethylpent-4-en-2-amine

C9H18N2 — CID 88890724

IUPAC3-ethanimidoyl-N-ethylpent-4-en-2-amine
SMILES[H]/N=C(\C)C(C=C)C(C)NCC
InChIInChI=1S/C9H18N2/c1-5-9(7(3)10)8(4)11-6-2/h5,8-11H,1,6H2,2-4H3/b10-7+
InChIKeyJGGIYTNASSBVJG-JXMROGBWSA-N
MW154.26 g/mol
LogP1.83
Rot. Bonds5

About 3-ethanimidoyl-N-ethylpent-4-en-2-amine

3-ethanimidoyl-N-ethylpent-4-en-2-amine (PubChem CID 88890724) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-ethanimidoyl-N-ethylpent-4-en-2-amine.

Molecular Properties

Compound Name3-ethanimidoyl-N-ethylpent-4-en-2-amine
PubChem CID88890724
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-ethanimidoyl-N-ethylpent-4-en-2-amine
SMILES[H]/N=C(\C)C(C=C)C(C)NCC
InChIInChI=1S/C9H18N2/c1-5-9(7(3)10)8(4)11-6-2/h5,8-11H,1,6H2,2-4H3/b10-7+
InChIKeyJGGIYTNASSBVJG-JXMROGBWSA-N
XLogP1.83
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethanimidoyl-N-ethylpent-4-en-2-amine?
The IUPAC name of 3-ethanimidoyl-N-ethylpent-4-en-2-amine (CID 88890724) is 3-ethanimidoyl-N-ethylpent-4-en-2-amine.
What is the SMILES notation for 3-ethanimidoyl-N-ethylpent-4-en-2-amine?
The canonical SMILES for 3-ethanimidoyl-N-ethylpent-4-en-2-amine is [H]/N=C(\C)C(C=C)C(C)NCC.
What is the InChIKey of 3-ethanimidoyl-N-ethylpent-4-en-2-amine?
The InChIKey is JGGIYTNASSBVJG-JXMROGBWSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-9(7(3)10)8(4)11-6-2/h5,8-11H,1,6H2,2-4H3/b10-7+.
What are the key properties of 3-ethanimidoyl-N-ethylpent-4-en-2-amine?
3-ethanimidoyl-N-ethylpent-4-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanimidoyl-N-ethylpent-4-en-2-amine is sourced from PubChem (CID 88890724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).