(4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine

C19H33NO — CID 143792151

IUPAC(4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine
SMILESC=C/C(=C\C(=C/C)CCC1CCOCC1)CCCNCC
InChIInChI=1S/C19H33NO/c1-4-17(8-7-13-20-6-3)16-18(5-2)9-10-19-11-14-21-15-12-19/h4-5,16,19-20H,1,6-15H2,2-3H3/b17-16+,18-5-
InChIKeyCIKQIIDOMQOIGI-PDUBBGFBSA-N
MW291.48 g/mol
LogP4.64
Rot. Bonds10

About (4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine

(4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine (PubChem CID 143792151) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine
PubChem CID143792151
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine
SMILESC=C/C(=C\C(=C/C)CCC1CCOCC1)CCCNCC
InChIInChI=1S/C19H33NO/c1-4-17(8-7-13-20-6-3)16-18(5-2)9-10-19-11-14-21-15-12-19/h4-5,16,19-20H,1,6-15H2,2-3H3/b17-16+,18-5-
InChIKeyCIKQIIDOMQOIGI-PDUBBGFBSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine?
The IUPAC name of (4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine (CID 143792151) is (4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine.
What is the SMILES notation for (4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine?
The canonical SMILES for (4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine is C=C/C(=C\C(=C/C)CCC1CCOCC1)CCCNCC.
What is the InChIKey of (4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine?
The InChIKey is CIKQIIDOMQOIGI-PDUBBGFBSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-17(8-7-13-20-6-3)16-18(5-2)9-10-19-11-14-21-15-12-19/h4-5,16,19-20H,1,6-15H2,2-3H3/b17-16+,18-5-.
What are the key properties of (4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine?
(4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-ethenyl-N-ethyl-6-[2-(oxan-4-yl)ethyl]octa-4,6-dien-1-amine is sourced from PubChem (CID 143792151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).