(3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine

C15H25N — CID 144512992

IUPAC(3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine
SMILESC=C/C(C)=C\C=C(/C=C)N(CC)CCCC
InChIInChI=1S/C15H25N/c1-6-10-13-16(9-4)15(8-3)12-11-14(5)7-2/h7-8,11-12H,2-3,6,9-10,13H2,1,4-5H3/b14-11-,15-12+
InChIKeyCOXIRVZOQYFIPF-KMUHKHSISA-N
MW219.37 g/mol
LogP4.31
Rot. Bonds8

About (3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine

(3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine (PubChem CID 144512992) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine
PubChem CID144512992
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine
SMILESC=C/C(C)=C\C=C(/C=C)N(CC)CCCC
InChIInChI=1S/C15H25N/c1-6-10-13-16(9-4)15(8-3)12-11-14(5)7-2/h7-8,11-12H,2-3,6,9-10,13H2,1,4-5H3/b14-11-,15-12+
InChIKeyCOXIRVZOQYFIPF-KMUHKHSISA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine?
The IUPAC name of (3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine (CID 144512992) is (3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine.
What is the SMILES notation for (3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine?
The canonical SMILES for (3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine is C=C/C(C)=C\C=C(/C=C)N(CC)CCCC.
What is the InChIKey of (3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine?
The InChIKey is COXIRVZOQYFIPF-KMUHKHSISA-N. The full InChI is InChI=1S/C15H25N/c1-6-10-13-16(9-4)15(8-3)12-11-14(5)7-2/h7-8,11-12H,2-3,6,9-10,13H2,1,4-5H3/b14-11-,15-12+.
What are the key properties of (3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine?
(3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine has a molecular weight of 219.37 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-butyl-N-ethyl-6-methylocta-1,3,5,7-tetraen-3-amine is sourced from PubChem (CID 144512992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).