2-ethenylidene-6-methoxyhex-4-en-1-amine

C9H15NO — CID 54337955

IUPAC2-ethenylidene-6-methoxyhex-4-en-1-amine
SMILESC=C=C(CN)CC=CCOC
InChIInChI=1S/C9H15NO/c1-3-9(8-10)6-4-5-7-11-2/h4-5H,1,6-8,10H2,2H3
InChIKeyTWVVSQRDORMSDB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.25
Rot. Bonds5

About 2-ethenylidene-6-methoxyhex-4-en-1-amine

2-ethenylidene-6-methoxyhex-4-en-1-amine (PubChem CID 54337955) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-ethenylidene-6-methoxyhex-4-en-1-amine.

Molecular Properties

Compound Name2-ethenylidene-6-methoxyhex-4-en-1-amine
PubChem CID54337955
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-ethenylidene-6-methoxyhex-4-en-1-amine
SMILESC=C=C(CN)CC=CCOC
InChIInChI=1S/C9H15NO/c1-3-9(8-10)6-4-5-7-11-2/h4-5H,1,6-8,10H2,2H3
InChIKeyTWVVSQRDORMSDB-UHFFFAOYSA-N
XLogP1.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylidene-6-methoxyhex-4-en-1-amine?
The IUPAC name of 2-ethenylidene-6-methoxyhex-4-en-1-amine (CID 54337955) is 2-ethenylidene-6-methoxyhex-4-en-1-amine.
What is the SMILES notation for 2-ethenylidene-6-methoxyhex-4-en-1-amine?
The canonical SMILES for 2-ethenylidene-6-methoxyhex-4-en-1-amine is C=C=C(CN)CC=CCOC.
What is the InChIKey of 2-ethenylidene-6-methoxyhex-4-en-1-amine?
The InChIKey is TWVVSQRDORMSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(8-10)6-4-5-7-11-2/h4-5H,1,6-8,10H2,2H3.
What are the key properties of 2-ethenylidene-6-methoxyhex-4-en-1-amine?
2-ethenylidene-6-methoxyhex-4-en-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylidene-6-methoxyhex-4-en-1-amine is sourced from PubChem (CID 54337955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).