(2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine

C22H34N2 — CID 145300567

IUPAC(2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine
SMILESCC1CCNCC1.[H]/N=C/C(=C\C(=C)C)/C(C)=C/C(C=C)=C(\C)C=C
InChIInChI=1S/C16H21N.C6H13N/c1-7-13(5)15(8-2)10-14(6)16(11-17)9-12(3)4;1-6-2-4-7-5-3-6/h7-11,17H,1-3H2,4-6H3;6-7H,2-5H2,1H3/b14-10+,15-13+,16-9+,17-11+;
InChIKeyIGGDQLTVAPLBPB-WAIGSHHFSA-N
MW326.53 g/mol
LogP5.78
Rot. Bonds6

About (2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine

(2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine (PubChem CID 145300567) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is (2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine.

Molecular Properties

Compound Name(2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine
PubChem CID145300567
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name(2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine
SMILESCC1CCNCC1.[H]/N=C/C(=C\C(=C)C)/C(C)=C/C(C=C)=C(\C)C=C
InChIInChI=1S/C16H21N.C6H13N/c1-7-13(5)15(8-2)10-14(6)16(11-17)9-12(3)4;1-6-2-4-7-5-3-6/h7-11,17H,1-3H2,4-6H3;6-7H,2-5H2,1H3/b14-10+,15-13+,16-9+,17-11+;
InChIKeyIGGDQLTVAPLBPB-WAIGSHHFSA-N
XLogP5.78
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine
CID 123822692
(Z)-N-methyl-3-(4-methylcyclohexen-1-yl)-2-piperidin-4-ylprop-2-en-1-imine
CID 126517181
4-[(3E,5E)-9-amino-6-methanimidoyl-5-methylnona-1,3,5-trien-3-yl]-N,N-dimethylpiperidin-1-amine
CID 134525665
ethane;4-[(3Z,5E,6E)-6-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-2-yl]piperidine
CID 141893375
5-piperidin-4-yl-2H-azepine
CID 141914721
ethane;2-methylbut-2-ene;4-[(3Z)-penta-1,3-dien-2-yl]piperidine
CID 142165942
ethane;[(E)-[(2E,3Z,6E,11Z)-2-ethylidene-6-methyltrideca-3,6,8,11-tetraenylidene]amino] piperidine-4-carboximidate
CID 142907700
ethane;ethene;4-[(2Z,4Z)-hexa-2,4-dien-3-yl]piperidine
CID 143651450
(3E,5Z)-N,3-dimethyl-N-(piperidin-4-ylmethyl)octa-3,5,7-trien-1-amine
CID 146340567
(3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine
CID 162737186
(2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine
CID 170059484
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidine
CID 177246247

Frequently Asked Questions

What is the IUPAC name of (2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine?
The IUPAC name of (2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine (CID 145300567) is (2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine.
What is the SMILES notation for (2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine?
The canonical SMILES for (2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine is CC1CCNCC1.[H]/N=C/C(=C\C(=C)C)/C(C)=C/C(C=C)=C(\C)C=C.
What is the InChIKey of (2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine?
The InChIKey is IGGDQLTVAPLBPB-WAIGSHHFSA-N. The full InChI is InChI=1S/C16H21N.C6H13N/c1-7-13(5)15(8-2)10-14(6)16(11-17)9-12(3)4;1-6-2-4-7-5-3-6/h7-11,17H,1-3H2,4-6H3;6-7H,2-5H2,1H3/b14-10+,15-13+,16-9+,17-11+;.
What are the key properties of (2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine?
(2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine has a molecular weight of 326.53 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E,5E)-5-ethenyl-3,6-dimethyl-2-(2-methylprop-2-enylidene)octa-3,5,7-trien-1-imine;4-methylpiperidine is sourced from PubChem (CID 145300567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).