1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine

C22H30N2 — CID 143288207

IUPAC1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine
SMILES[H]/N=c1\ccccn1/C=C(\C)C(C)(C)/C=C/C(C)(C)C(=C)/C=C\C=C
InChIInChI=1S/C22H30N2/c1-8-9-12-18(2)21(4,5)14-15-22(6,7)19(3)17-24-16-11-10-13-20(24)23/h8-17,23H,1-2H2,3-7H3/b12-9-,15-14+,19-17+,23-20+
InChIKeyTZYOEGBHNNGRPH-KDUOIVIYSA-N
MW322.50 g/mol
LogP5.74
Rot. Bonds7

About 1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine

1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine (PubChem CID 143288207) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine.

Molecular Properties

Compound Name1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine
PubChem CID143288207
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine
SMILES[H]/N=c1\ccccn1/C=C(\C)C(C)(C)/C=C/C(C)(C)C(=C)/C=C\C=C
InChIInChI=1S/C22H30N2/c1-8-9-12-18(2)21(4,5)14-15-22(6,7)19(3)17-24-16-11-10-13-20(24)23/h8-17,23H,1-2H2,3-7H3/b12-9-,15-14+,19-17+,23-20+
InChIKeyTZYOEGBHNNGRPH-KDUOIVIYSA-N
XLogP5.74
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Ditert-butylpyridin-2-imine
CID 59116553
4-tert-butyl-N,1-dimethylpyridin-2-imine
CID 59485522
1-Butyl-5-tert-butylpyridin-2-imine
CID 66643174
4-Tert-butyl-1-butylpyridin-2(1h)-imine
CID 66643290
5-Ethyl-1-methanimidoylpyridin-2-imine
CID 68338821
1,5-Dimethylpyridin-2-imine
CID 70512128
1,4,5-Trimethylpyridin-2-imine
CID 89231210
1-Methyl-5-(3-methylbuta-1,3-dien-2-yl)pyridin-2-imine
CID 132050965
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128
4-Cyclopropyl-1-methylpyridin-2-imine
CID 139498811
1,4-Dimethylpyridin-2-imine;ethane
CID 141930235
5-Ethyl-1-methylpyridin-2-imine
CID 142884998

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine?
The IUPAC name of 1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine (CID 143288207) is 1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine.
What is the SMILES notation for 1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine?
The canonical SMILES for 1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine is [H]/N=c1\ccccn1/C=C(\C)C(C)(C)/C=C/C(C)(C)C(=C)/C=C\C=C.
What is the InChIKey of 1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine?
The InChIKey is TZYOEGBHNNGRPH-KDUOIVIYSA-N. The full InChI is InChI=1S/C22H30N2/c1-8-9-12-18(2)21(4,5)14-15-22(6,7)19(3)17-24-16-11-10-13-20(24)23/h8-17,23H,1-2H2,3-7H3/b12-9-,15-14+,19-17+,23-20+.
What are the key properties of 1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine?
1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine has a molecular weight of 322.50 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine is sourced from PubChem (CID 143288207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).