(2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine

C8H13NO — CID 126583912

IUPAC(2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine
SMILESC=CN/C(C)=C/C(=C)OC
InChIInChI=1S/C8H13NO/c1-5-9-7(2)6-8(3)10-4/h5-6,9H,1,3H2,2,4H3/b7-6+
InChIKeyQSKUPDQGHNUQJF-VOTSOKGWSA-N
MW139.20 g/mol
LogP1.78
Rot. Bonds4

About (2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine

(2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine (PubChem CID 126583912) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine
PubChem CID126583912
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine
SMILESC=CN/C(C)=C/C(=C)OC
InChIInChI=1S/C8H13NO/c1-5-9-7(2)6-8(3)10-4/h5-6,9H,1,3H2,2,4H3/b7-6+
InChIKeyQSKUPDQGHNUQJF-VOTSOKGWSA-N
XLogP1.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.78
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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Related Compounds

(3E,5E)-4-fluoro-5-methoxy-N-methylhepta-1,3,5-trien-2-amine
CID 143206210
(3E)-4-fluoro-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 143206346
(Pyridylidene)pyran
CID 129797087
5-Methoxy-1,2-dihydropyridine
CID 19045914
4-Methoxy-1,2-dihydropyridine
CID 19045948
3-methoxy-1H-azepine
CID 19710579
5-Methoxy-1,2-dihydropyridin-1-ium
CID 53730843
4-Methoxy-1,2-dihydropyridin-1-ium
CID 53939719
(1E,3Z)-5-methoxyhexa-1,3,5-triene-1,2-diamine
CID 89012784
(1E,3E)-2-methoxyhexa-1,3,5-triene-1,4-diamine
CID 89358076
6-methoxy-N-methylcyclohepta-1,2,4,6-tetraen-1-amine
CID 89983569
(2E)-4-methoxy-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
CID 118085795

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine (CID 126583912) is (2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine is C=CN/C(C)=C/C(=C)OC.
What is the InChIKey of (2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine?
The InChIKey is QSKUPDQGHNUQJF-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-9-7(2)6-8(3)10-4/h5-6,9H,1,3H2,2,4H3/b7-6+.
What are the key properties of (2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine?
(2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine has a molecular weight of 139.20 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine is sourced from PubChem (CID 126583912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).