(4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine

C33H42N2 — CID 142140472

IUPAC(4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine
SMILESC/C=C\C(=C(/CC(C)C)NC(c1ccccc1)c1cccc(-c2c(C)cc(C)cc2C)n1)C(C)C
InChIInChI=1S/C33H42N2/c1-9-14-28(23(4)5)31(19-22(2)3)35-33(27-15-11-10-12-16-27)30-18-13-17-29(34-30)32-25(7)20-24(6)21-26(32)8/h9-18,20-23,33,35H,19H2,1-8H3/b14-9-,31-28-
InChIKeyZCFWZZOIJULYAZ-KLYVZKDQSA-N
MW466.71 g/mol
LogP8.89
Rot. Bonds9

About (4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine

(4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine (PubChem CID 142140472) has the molecular formula C33H42N2 and a molecular weight of 466.71 g/mol. Its IUPAC name is (4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine.

Molecular Properties

Compound Name(4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine
PubChem CID142140472
Molecular FormulaC33H42N2
Molecular Weight466.71 g/mol
Exact Mass466.33
IUPAC Name(4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine
SMILESC/C=C\C(=C(/CC(C)C)NC(c1ccccc1)c1cccc(-c2c(C)cc(C)cc2C)n1)C(C)C
InChIInChI=1S/C33H42N2/c1-9-14-28(23(4)5)31(19-22(2)3)35-33(27-15-11-10-12-16-27)30-18-13-17-29(34-30)32-25(7)20-24(6)21-26(32)8/h9-18,20-23,33,35H,19H2,1-8H3/b14-9-,31-28-
InChIKeyZCFWZZOIJULYAZ-KLYVZKDQSA-N
XLogP8.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 58.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium
CID 142140371
di(propan-2-yl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;prop-1-ene
CID 167454576
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
N-methyl-6-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 115503483
2-[[(3-methylphenyl)-phenylmethyl]amino]ethanol
CID 144916597
phenyl-(6-phenyl-2-pyridinyl)methanamine;prop-1-ene;(E)-2,3,6-trimethylhept-3-ene
CID 142237417
N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 20637527
2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol
CID 144917101
N-benzhydrylbut-2-enamide
CID 78906490
2-[1-ethoxy-3-oxo-2-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]hexyl]propanedioic acid
CID 69119379
N-[(trimethyl-λ4-sulfanyl)methyl]-6-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 155088007
N-[(2-methoxyphenyl)-(6-phenyl-2-pyridinyl)methyl]-2,4,6-trimethylaniline
CID 70645342

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine?
The IUPAC name of (4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine (CID 142140472) is (4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine.
What is the SMILES notation for (4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine?
The canonical SMILES for (4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine is C/C=C\C(=C(/CC(C)C)NC(c1ccccc1)c1cccc(-c2c(C)cc(C)cc2C)n1)C(C)C.
What is the InChIKey of (4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine?
The InChIKey is ZCFWZZOIJULYAZ-KLYVZKDQSA-N. The full InChI is InChI=1S/C33H42N2/c1-9-14-28(23(4)5)31(19-22(2)3)35-33(27-15-11-10-12-16-27)30-18-13-17-29(34-30)32-25(7)20-24(6)21-26(32)8/h9-18,20-23,33,35H,19H2,1-8H3/b14-9-,31-28-.
What are the key properties of (4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine?
(4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine has a molecular weight of 466.71 g/mol, XLogP of 8.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-2-methyl-N-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]-5-propan-2-ylocta-4,6-dien-4-amine is sourced from PubChem (CID 142140472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).