(2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine

C9H15NO — CID 168947029

IUPAC(2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC)C(=C)OC
InChIInChI=1S/C9H15NO/c1-5-6-9(7-10-3)8(2)11-4/h5-6,10H,1-2,7H2,3-4H3/b9-6-
InChIKeyINHZYYDJJULQQA-TWGQIWQCSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds5

About (2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine

(2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine (PubChem CID 168947029) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine
PubChem CID168947029
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC)C(=C)OC
InChIInChI=1S/C9H15NO/c1-5-6-9(7-10-3)8(2)11-4/h5-6,10H,1-2,7H2,3-4H3/b9-6-
InChIKeyINHZYYDJJULQQA-TWGQIWQCSA-N
XLogP1.48
TPSA21.26 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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine (CID 168947029) is (2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine is C=C/C=C(/CNC)C(=C)OC.
What is the InChIKey of (2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine?
The InChIKey is INHZYYDJJULQQA-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-6-9(7-10-3)8(2)11-4/h5-6,10H,1-2,7H2,3-4H3/b9-6-.
What are the key properties of (2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine?
(2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 168947029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).