2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine

C13H23NO — CID 143227719

IUPAC2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine
SMILESC=C/C=C(\C=C)COC(CC)CN(C)C
InChIInChI=1S/C13H23NO/c1-6-9-12(7-2)11-15-13(8-3)10-14(4)5/h6-7,9,13H,1-2,8,10-11H2,3-5H3/b12-9+
InChIKeyIKGUAXMQKUXMQM-FMIVXFBMSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds8

About 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine

2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine (PubChem CID 143227719) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine
PubChem CID143227719
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine
SMILESC=C/C=C(\C=C)COC(CC)CN(C)C
InChIInChI=1S/C13H23NO/c1-6-9-12(7-2)11-15-13(8-3)10-14(4)5/h6-7,9,13H,1-2,8,10-11H2,3-5H3/b12-9+
InChIKeyIKGUAXMQKUXMQM-FMIVXFBMSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine
CID 134224799
(E,2R)-4-fluoro-2-methoxy-N,N-dimethyl-3-methylidenehex-4-en-1-amine
CID 134224802
1-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylmethanamine
CID 142279528
2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
CID 19836973
2-Hepta-1,3,5-trien-2-yl-4-methylmorpholine
CID 90729864
4-(2-Ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine
CID 123822583
N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine
CID 129059958
N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 129059990
2-Cyclohepta-1,3,6-trien-1-yl-4-methylmorpholine
CID 141816694
1-(2-methoxyethyl)pyrrolidine;(3E)-3-(prop-2-enoxymethyl)hexa-1,3,5-triene
CID 143464128
N,N-dimethyl-2-[(2E)-3-methylpenta-2,4-dienoxy]ethanamine;ethene
CID 143712106
(2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine
CID 143984814

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine?
The IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine (CID 143227719) is 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine is C=C/C=C(\C=C)COC(CC)CN(C)C.
What is the InChIKey of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine?
The InChIKey is IKGUAXMQKUXMQM-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-9-12(7-2)11-15-13(8-3)10-14(4)5/h6-7,9,13H,1-2,8,10-11H2,3-5H3/b12-9+.
What are the key properties of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine?
2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 143227719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).