2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine

C24H34N2 — CID 138498288

IUPAC2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine
SMILESC=CC(C=C)=C(CC)NC1(C(=C)/C=C\C=C(/C)C(C)CC)C=CC=CN1
InChIInChI=1S/C24H34N2/c1-8-19(5)20(6)15-14-16-21(7)24(17-12-13-18-25-24)26-23(11-4)22(9-2)10-3/h9-10,12-19,25-26H,2-3,7-8,11H2,1,4-6H3/b16-14-,20-15+
InChIKeyQYAUZLZADQOROW-NVVUQHMZSA-N
MW350.55 g/mol
LogP6.09
Rot. Bonds10

About 2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine

2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine (PubChem CID 138498288) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine.

Molecular Properties

Compound Name2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine
PubChem CID138498288
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine
SMILESC=CC(C=C)=C(CC)NC1(C(=C)/C=C\C=C(/C)C(C)CC)C=CC=CN1
InChIInChI=1S/C24H34N2/c1-8-19(5)20(6)15-14-16-21(7)24(17-12-13-18-25-24)26-23(11-4)22(9-2)10-3/h9-10,12-19,25-26H,2-3,7-8,11H2,1,4-6H3/b16-14-,20-15+
InChIKeyQYAUZLZADQOROW-NVVUQHMZSA-N
XLogP6.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine?
The IUPAC name of 2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine (CID 138498288) is 2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine.
What is the SMILES notation for 2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine?
The canonical SMILES for 2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine is C=CC(C=C)=C(CC)NC1(C(=C)/C=C\C=C(/C)C(C)CC)C=CC=CN1.
What is the InChIKey of 2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine?
The InChIKey is QYAUZLZADQOROW-NVVUQHMZSA-N. The full InChI is InChI=1S/C24H34N2/c1-8-19(5)20(6)15-14-16-21(7)24(17-12-13-18-25-24)26-23(11-4)22(9-2)10-3/h9-10,12-19,25-26H,2-3,7-8,11H2,1,4-6H3/b16-14-,20-15+.
What are the key properties of 2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine?
2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine has a molecular weight of 350.55 g/mol, XLogP of 6.09, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine is sourced from PubChem (CID 138498288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).