N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine

C26H41N3 — CID 178160696

IUPACN-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\C1C(C=C)CCN(C/C(C)=N/C(/C(C)=C\CC)=C(\C)C=C)C1C
InChIInChI=1S/C26H41N3/c1-10-15-20(7)25(19(6)11-2)27-21(8)18-29-17-16-23(12-3)26(22(29)9)28-24(13-4)14-5/h11-13,15,22-23,26H,2-4,10,14,16-18H2,1,5-9H3/b20-15-,25-19+,27-21+,28-24+
InChIKeyZDPSCRIJXJWTSH-HXHDYYRJSA-N
MW395.64 g/mol
LogP6.57
Rot. Bonds10

About N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine

N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine (PubChem CID 178160696) has the molecular formula C26H41N3 and a molecular weight of 395.64 g/mol. Its IUPAC name is N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine.

Molecular Properties

Compound NameN-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine
PubChem CID178160696
Molecular FormulaC26H41N3
Molecular Weight395.64 g/mol
Exact Mass395.33
IUPAC NameN-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine
SMILESC=C/C(CC)=N\C1C(C=C)CCN(C/C(C)=N/C(/C(C)=C\CC)=C(\C)C=C)C1C
InChIInChI=1S/C26H41N3/c1-10-15-20(7)25(19(6)11-2)27-21(8)18-29-17-16-23(12-3)26(22(29)9)28-24(13-4)14-5/h11-13,15,22-23,26H,2-4,10,14,16-18H2,1,5-9H3/b20-15-,25-19+,27-21+,28-24+
InChIKeyZDPSCRIJXJWTSH-HXHDYYRJSA-N
XLogP6.57
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.64
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine 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

N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine
CID 134479249
6-[(4-butylpiperidin-1-yl)methyl]-2H-indole
CID 60064673
1-Ethyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
CID 88462183
(3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine
CID 90774321
N-but-2-en-2-yl-N,7,12-trimethyl-3-[1-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethylidene]-4-prop-1-enylhexadeca-1,4,7,9,14-pentaen-8-amine
CID 123173713
(2E,5E,7E,9Z)-N-ethenyl-6,7-diethyl-3-methyl-2-piperidin-1-yldodeca-2,5,7,9,11-pentaen-4-imine;methane
CID 141961098
ethane;(Z)-1-[1-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]piperidin-4-yl]-2-[1-(propan-2-ylideneamino)ethenyl]but-2-en-1-amine;methane
CID 143221478
ethane;methane;(7E)-7-[(3Z,5Z)-1-(4-methylpiperidin-1-yl)octa-3,5-dienyl]-3,6-dihydroazocine
CID 143637234
1-[2-[(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-2-pyridinyl]ethyl]-4-(5-methylcyclohepta-1,3,6-trien-1-yl)piperazine;ethane
CID 144583940
ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene
CID 145287373
N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine
CID 152743315
(2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine
CID 166855694

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine?
The IUPAC name of N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine (CID 178160696) is N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine.
What is the SMILES notation for N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine?
The canonical SMILES for N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine is C=C/C(CC)=N\C1C(C=C)CCN(C/C(C)=N/C(/C(C)=C\CC)=C(\C)C=C)C1C.
What is the InChIKey of N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine?
The InChIKey is ZDPSCRIJXJWTSH-HXHDYYRJSA-N. The full InChI is InChI=1S/C26H41N3/c1-10-15-20(7)25(19(6)11-2)27-21(8)18-29-17-16-23(12-3)26(22(29)9)28-24(13-4)14-5/h11-13,15,22-23,26H,2-4,10,14,16-18H2,1,5-9H3/b20-15-,25-19+,27-21+,28-24+.
What are the key properties of N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine?
N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine has a molecular weight of 395.64 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine is sourced from PubChem (CID 178160696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).