(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine

C24H36N2 — CID 130374259

IUPAC(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine
SMILESC=C/C=C\C=C/CCCCC(C)/C(=N\C)N1C=CC=C(C(C)CC)C1=C
InChIInChI=1S/C24H36N2/c1-7-9-10-11-12-13-14-15-17-21(4)24(25-6)26-19-16-18-23(22(26)5)20(3)8-2/h7,9-12,16,18-21H,1,5,8,13-15,17H2,2-4,6H3/b10-9-,12-11-,25-24+
InChIKeySCHOXGLBKLZISZ-HHBQWVABSA-N
MW352.57 g/mol
LogP6.83
Rot. Bonds10

About (7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine

(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine (PubChem CID 130374259) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is (7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine.

Molecular Properties

Compound Name(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine
PubChem CID130374259
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine
SMILESC=C/C=C\C=C/CCCCC(C)/C(=N\C)N1C=CC=C(C(C)CC)C1=C
InChIInChI=1S/C24H36N2/c1-7-9-10-11-12-13-14-15-17-21(4)24(25-6)26-19-16-18-23(22(26)5)20(3)8-2/h7,9-12,16,18-21H,1,5,8,13-15,17H2,2-4,6H3/b10-9-,12-11-,25-24+
InChIKeySCHOXGLBKLZISZ-HHBQWVABSA-N
XLogP6.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine?
The IUPAC name of (7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine (CID 130374259) is (7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine.
What is the SMILES notation for (7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine?
The canonical SMILES for (7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine is C=C/C=C\C=C/CCCCC(C)/C(=N\C)N1C=CC=C(C(C)CC)C1=C.
What is the InChIKey of (7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine?
The InChIKey is SCHOXGLBKLZISZ-HHBQWVABSA-N. The full InChI is InChI=1S/C24H36N2/c1-7-9-10-11-12-13-14-15-17-21(4)24(25-6)26-19-16-18-23(22(26)5)20(3)8-2/h7,9-12,16,18-21H,1,5,8,13-15,17H2,2-4,6H3/b10-9-,12-11-,25-24+.
What are the key properties of (7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine?
(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine has a molecular weight of 352.57 g/mol, XLogP of 6.83, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine is sourced from PubChem (CID 130374259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).