N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine

C20H31N — CID 123643388

IUPACN,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine
SMILESC=C(C=CCN(C)C(=C)C(C)=CCC(C)=CC)C(C)=CC
InChIInChI=1S/C20H31N/c1-9-16(3)13-14-19(6)20(7)21(8)15-11-12-18(5)17(4)10-2/h9-12,14H,5,7,13,15H2,1-4,6,8H3
InChIKeyFKEWZDUXOLRPPM-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.81
Rot. Bonds8

About N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine

N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine (PubChem CID 123643388) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine.

Molecular Properties

Compound NameN,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine
PubChem CID123643388
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine
SMILESC=C(C=CCN(C)C(=C)C(C)=CCC(C)=CC)C(C)=CC
InChIInChI=1S/C20H31N/c1-9-16(3)13-14-19(6)20(7)21(8)15-11-12-18(5)17(4)10-2/h9-12,14H,5,7,13,15H2,1-4,6,8H3
InChIKeyFKEWZDUXOLRPPM-UHFFFAOYSA-N
XLogP5.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.81
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'}

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Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine?
The IUPAC name of N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine (CID 123643388) is N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine.
What is the SMILES notation for N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine?
The canonical SMILES for N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine is C=C(C=CCN(C)C(=C)C(C)=CCC(C)=CC)C(C)=CC.
What is the InChIKey of N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine?
The InChIKey is FKEWZDUXOLRPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-9-16(3)13-14-19(6)20(7)21(8)15-11-12-18(5)17(4)10-2/h9-12,14H,5,7,13,15H2,1-4,6,8H3.
What are the key properties of N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine?
N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine has a molecular weight of 285.48 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-N-(5-methyl-4-methylidenehepta-2,5-dienyl)octa-1,3,6-trien-2-amine is sourced from PubChem (CID 123643388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).