(3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine

C27H35N3 — CID 134188582

IUPAC(3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine
SMILESC=CC(=C/C(=C\C)C1=CC(C)=NC/C1=C\C=C/N=C)C(/C=C/C)=C/C=C\CCNC
InChIInChI=1S/C27H35N3/c1-7-14-25(15-11-10-12-17-28-5)23(8-2)20-24(9-3)27-19-22(4)30-21-26(27)16-13-18-29-6/h7-11,13-16,18-20,28H,2,6,12,17,21H2,1,3-5H3/b11-10-,14-7+,18-13-,23-20+,24-9+,25-15+,26-16+
InChIKeyUOPXPTLQHSOPJQ-OYBXPKFMSA-N
MW401.60 g/mol
LogP6.25
Rot. Bonds11

About (3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine

(3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine (PubChem CID 134188582) has the molecular formula C27H35N3 and a molecular weight of 401.60 g/mol. Its IUPAC name is (3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine.

Molecular Properties

Compound Name(3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine
PubChem CID134188582
Molecular FormulaC27H35N3
Molecular Weight401.60 g/mol
Exact Mass401.28
IUPAC Name(3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine
SMILESC=CC(=C/C(=C\C)C1=CC(C)=NC/C1=C\C=C/N=C)C(/C=C/C)=C/C=C\CCNC
InChIInChI=1S/C27H35N3/c1-7-14-25(15-11-10-12-17-28-5)23(8-2)20-24(9-3)27-19-22(4)30-21-26(27)16-13-18-29-6/h7-11,13-16,18-20,28H,2,6,12,17,21H2,1,3-5H3/b11-10-,14-7+,18-13-,23-20+,24-9+,25-15+,26-16+
InChIKeyUOPXPTLQHSOPJQ-OYBXPKFMSA-N
XLogP6.25
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.60
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine with MolForge

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Related Compounds

(E)-N-[(1E,3E)-1-(3,3-difluorobutan-2-ylideneamino)hepta-1,3-dien-2-yl]-2-[(Z)-prop-1-enyl]imino-3-propylhex-3-en-1-amine
CID 169205430
(3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine
CID 176539404
N-methyl-2-[(2Z)-2-(3-methylbut-2-enylidene)indol-1-ium-3-yl]ethanamine
CID 135020789
N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
CID 139247713
(1Z,3Z,6Z,8Z,10Z)-6-[[(4Z,6Z)-4-amino-2-(1,2-dihydropyridin-2-yl)nona-1,4,6,8-tetraen-3-ylidene]amino]-5-methylidenetrideca-1,3,6,8,10,12-hexaene-1,7,8-triamine
CID 88357182
[4-Ethyl-5-methylimino-11-(prop-2-enylamino)trideca-3,7,10,12-tetraen-3-yl]-methyl-methylideneazanium
CID 91589718
7-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-azepine
CID 123690321
(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
(4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine
CID 129169872
(1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine
CID 129169935
(3Z,5E,9E)-8-[(Z)-4-(butan-2-ylamino)but-2-en-2-yl]imino-N-ethyl-6-methylundeca-1,3,5,9-tetraen-2-amine
CID 132185571
6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine
CID 134502452

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine?
The IUPAC name of (3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine (CID 134188582) is (3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine.
What is the SMILES notation for (3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine?
The canonical SMILES for (3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine is C=CC(=C/C(=C\C)C1=CC(C)=NC/C1=C\C=C/N=C)C(/C=C/C)=C/C=C\CCNC.
What is the InChIKey of (3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine?
The InChIKey is UOPXPTLQHSOPJQ-OYBXPKFMSA-N. The full InChI is InChI=1S/C27H35N3/c1-7-14-25(15-11-10-12-17-28-5)23(8-2)20-24(9-3)27-19-22(4)30-21-26(27)16-13-18-29-6/h7-11,13-16,18-20,28H,2,6,12,17,21H2,1,3-5H3/b11-10-,14-7+,18-13-,23-20+,24-9+,25-15+,26-16+.
What are the key properties of (3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine?
(3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine has a molecular weight of 401.60 g/mol, XLogP of 6.25, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine is sourced from PubChem (CID 134188582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).