4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine

C22H24N2 — CID 90693248

IUPAC4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine
SMILESC=CC(=CC(=C)C=Cc1cccc(C)c1)CCc1ccnc(N)c1
InChIInChI=1S/C22H24N2/c1-4-19(10-11-21-12-13-24-22(23)16-21)14-18(3)8-9-20-7-5-6-17(2)15-20/h4-9,12-16H,1,3,10-11H2,2H3,(H2,23,24)
InChIKeyMICYKHHWSSQFSC-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.29
Rot. Bonds7

About 4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine

4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine (PubChem CID 90693248) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine
PubChem CID90693248
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine
SMILESC=CC(=CC(=C)C=Cc1cccc(C)c1)CCc1ccnc(N)c1
InChIInChI=1S/C22H24N2/c1-4-19(10-11-21-12-13-24-22(23)16-21)14-18(3)8-9-20-7-5-6-17(2)15-20/h4-9,12-16H,1,3,10-11H2,2H3,(H2,23,24)
InChIKeyMICYKHHWSSQFSC-UHFFFAOYSA-N
XLogP5.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.29
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

4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770
[3-(3-ethenyl-5-methylhexa-3,5-dienyl)phenyl]methanamine
CID 90978816
4-[2-hydrazinyl-3-(3-methylphenyl)propyl]pyridin-2-amine
CID 105208933
4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine
CID 58467868
4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine
CID 138980431
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
CID 5463079
1-(2-amino-4-pyridinyl)-3-methylbut-3-en-2-one
CID 103446347
ethyl (E)-3-(2-amino-4-pyridinyl)prop-2-enoate
CID 68688040
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
CID 143443436
2-[2-(3-methylphenyl)ethyl]pyridin-3-amine
CID 112716961
(E)-1-(3-methylphenyl)hept-1-en-3-one
CID 102346622

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine?
The IUPAC name of 4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine (CID 90693248) is 4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine.
What is the SMILES notation for 4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine?
The canonical SMILES for 4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine is C=CC(=CC(=C)C=Cc1cccc(C)c1)CCc1ccnc(N)c1.
What is the InChIKey of 4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine?
The InChIKey is MICYKHHWSSQFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-4-19(10-11-21-12-13-24-22(23)16-21)14-18(3)8-9-20-7-5-6-17(2)15-20/h4-9,12-16H,1,3,10-11H2,2H3,(H2,23,24).
What are the key properties of 4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine?
4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine has a molecular weight of 316.45 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine is sourced from PubChem (CID 90693248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).