(2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine

C18H31N — CID 88927966

IUPAC(2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine
SMILESC=C(/C=C/C)N(C/C=C(\C)CCC=C(C)C)CCC
InChIInChI=1S/C18H31N/c1-7-10-18(6)19(14-8-2)15-13-17(5)12-9-11-16(3)4/h7,10-11,13H,6,8-9,12,14-15H2,1-5H3/b10-7+,17-13+
InChIKeyMOQBDCNIQCLUEL-UVZCHINQSA-N
MW261.45 g/mol
LogP5.48
Rot. Bonds9

About (2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine

(2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine (PubChem CID 88927966) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine
PubChem CID88927966
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine
SMILESC=C(/C=C/C)N(C/C=C(\C)CCC=C(C)C)CCC
InChIInChI=1S/C18H31N/c1-7-10-18(6)19(14-8-2)15-13-17(5)12-9-11-16(3)4/h7,10-11,13H,6,8-9,12,14-15H2,1-5H3/b10-7+,17-13+
InChIKeyMOQBDCNIQCLUEL-UVZCHINQSA-N
XLogP5.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine with MolForge

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Related Compounds

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4,8,10a-trimethyl-10H-pyrido[1,2-a]azepine
CID 21597247
N-(dimethyloctadienyl)diethylamine
CID 129811778
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
N-(1-cyclopropylideneethyl)-N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]hexa-2,4-dien-3-amine
CID 123404943
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine
CID 130317615
(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
CID 134449399
(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
CID 135266313
(2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine
CID 135266370
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
(1E,3Z,5E)-5-ethenyl-N-ethyl-6-fluoro-N-[1-(1-methyl-2H-pyridin-4-yl)ethenyl]hepta-1,3,5-trien-1-amine
CID 146260476

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine?
The IUPAC name of (2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine (CID 88927966) is (2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine?
The canonical SMILES for (2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine is C=C(/C=C/C)N(C/C=C(\C)CCC=C(C)C)CCC.
What is the InChIKey of (2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine?
The InChIKey is MOQBDCNIQCLUEL-UVZCHINQSA-N. The full InChI is InChI=1S/C18H31N/c1-7-10-18(6)19(14-8-2)15-13-17(5)12-9-11-16(3)4/h7,10-11,13H,6,8-9,12,14-15H2,1-5H3/b10-7+,17-13+.
What are the key properties of (2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine?
(2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]-N-propylocta-2,6-dien-1-amine is sourced from PubChem (CID 88927966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).