2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine

C10H17NO2 — CID 123179464

IUPAC2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine
SMILESC=CC(=CC(OC)=C(C)OC)CN
InChIInChI=1S/C10H17NO2/c1-5-9(7-11)6-10(13-4)8(2)12-3/h5-6H,1,7,11H2,2-4H3
InChIKeyYFHKUYSNBGTEPR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.58
Rot. Bonds5

About 2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine

2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine (PubChem CID 123179464) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine
PubChem CID123179464
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine
SMILESC=CC(=CC(OC)=C(C)OC)CN
InChIInChI=1S/C10H17NO2/c1-5-9(7-11)6-10(13-4)8(2)12-3/h5-6H,1,7,11H2,2-4H3
InChIKeyYFHKUYSNBGTEPR-UHFFFAOYSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
CID 144992736
(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
CID 169127401
4-Aminomethylpyran
CID 23344150
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(1Z,3Z)-5-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 88961656
(Z)-2-(1-ethoxyethenyl)but-2-en-1-amine
CID 89270592
5-Methoxy-3,8-dimethylnona-3,5,7-trien-1-amine
CID 90796927
(2E,4Z)-3-methoxyhepta-2,4,6-trien-1-amine
CID 118033420
7,8-Dimethoxyocta-3,5,7-trien-1-amine
CID 123166948
2-(1-Methoxyethenyl)but-2-en-1-amine
CID 123555474
3-Methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
(1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine
CID 130224551

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine?
The IUPAC name of 2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine (CID 123179464) is 2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine.
What is the SMILES notation for 2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine?
The canonical SMILES for 2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine is C=CC(=CC(OC)=C(C)OC)CN.
What is the InChIKey of 2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine?
The InChIKey is YFHKUYSNBGTEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-9(7-11)6-10(13-4)8(2)12-3/h5-6H,1,7,11H2,2-4H3.
What are the key properties of 2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine?
2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine is sourced from PubChem (CID 123179464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).