(4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine

C25H33N3 — CID 123920861

IUPAC(4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine
SMILES[H]/N=C(C(\C)=C\C/C=C\C=CCCC(=C)C)/C(C)=N/C=C/CN1C=CC(=C)C=C1
InChIInChI=1S/C25H33N3/c1-21(2)13-10-8-6-7-9-11-14-23(4)25(26)24(5)27-17-12-18-28-19-15-22(3)16-20-28/h6-9,12,14-17,19-20,26H,1,3,10-11,13,18H2,2,4-5H3/b8-6?,9-7-,17-12+,23-14+,26-25+,27-24+
InChIKeyILMUKOTZBIKDAX-PDICGUJYSA-N
MW375.56 g/mol
LogP6.69
Rot. Bonds11

About (4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine

(4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine (PubChem CID 123920861) has the molecular formula C25H33N3 and a molecular weight of 375.56 g/mol. Its IUPAC name is (4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine.

Molecular Properties

Compound Name(4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine
PubChem CID123920861
Molecular FormulaC25H33N3
Molecular Weight375.56 g/mol
Exact Mass375.27
IUPAC Name(4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine
SMILES[H]/N=C(C(\C)=C\C/C=C\C=CCCC(=C)C)/C(C)=N/C=C/CN1C=CC(=C)C=C1
InChIInChI=1S/C25H33N3/c1-21(2)13-10-8-6-7-9-11-14-23(4)25(26)24(5)27-17-12-18-28-19-15-22(3)16-20-28/h6-9,12,14-17,19-20,26H,1,3,10-11,13,18H2,2,4-5H3/b8-6?,9-7-,17-12+,23-14+,26-25+,27-24+
InChIKeyILMUKOTZBIKDAX-PDICGUJYSA-N
XLogP6.69
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine with MolForge

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Related Compounds

(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
CID 153383099
2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine
CID 90887442
(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine
CID 90943080
(Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine
CID 91300094
4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine
CID 118361880
(3E,7E)-5-N-[4-(3,4-dimethyl-4H-pyridin-1-yl)but-2-en-2-yl]-7-ethyldodeca-3,7,10-triene-5,6-diimine
CID 123207993
7-Methyl-7-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-amine
CID 123414029
(4,6-Dimethyl-3-methylideneocta-4,6-dien-2-ylidene)-methyl-prop-1-enylazanium
CID 123453531
Methyl-(4-methyl-3-methylidenehex-4-en-2-ylidene)-prop-1-enylazanium
CID 123563926
Methyl-(4-methyl-3-methylidenehepta-4,6-dien-2-ylidene)-prop-1-enylazanium
CID 123815184
(4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine
CID 123989743

Frequently Asked Questions

What is the IUPAC name of (4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine?
The IUPAC name of (4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine (CID 123920861) is (4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine.
What is the SMILES notation for (4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine?
The canonical SMILES for (4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine is [H]/N=C(C(\C)=C\C/C=C\C=CCCC(=C)C)/C(C)=N/C=C/CN1C=CC(=C)C=C1.
What is the InChIKey of (4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine?
The InChIKey is ILMUKOTZBIKDAX-PDICGUJYSA-N. The full InChI is InChI=1S/C25H33N3/c1-21(2)13-10-8-6-7-9-11-14-23(4)25(26)24(5)27-17-12-18-28-19-15-22(3)16-20-28/h6-9,12,14-17,19-20,26H,1,3,10-11,13,18H2,2,4-5H3/b8-6?,9-7-,17-12+,23-14+,26-25+,27-24+.
What are the key properties of (4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine?
(4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine has a molecular weight of 375.56 g/mol, XLogP of 6.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine is sourced from PubChem (CID 123920861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).