(1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine

C20H28N2 — CID 135294936

IUPAC(1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine
SMILESC=C1C=CC(/C(N)=C/C(C)=C/C=C\CC2CCNCC2)=CC1
InChIInChI=1S/C20H28N2/c1-16-7-9-19(10-8-16)20(21)15-17(2)5-3-4-6-18-11-13-22-14-12-18/h3-5,7,9-10,15,18,22H,1,6,8,11-14,21H2,2H3/b4-3-,17-5+,20-15-
InChIKeyDWVNESPDDWYCDG-DUXMTKGFSA-N
MW296.46 g/mol
LogP4.16
Rot. Bonds5

About (1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine

(1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine (PubChem CID 135294936) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine
PubChem CID135294936
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name(1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine
SMILESC=C1C=CC(/C(N)=C/C(C)=C/C=C\CC2CCNCC2)=CC1
InChIInChI=1S/C20H28N2/c1-16-7-9-19(10-8-16)20(21)15-17(2)5-3-4-6-18-11-13-22-14-12-18/h3-5,7,9-10,15,18,22H,1,6,8,11-14,21H2,2H3/b4-3-,17-5+,20-15-
InChIKeyDWVNESPDDWYCDG-DUXMTKGFSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine with MolForge

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Related Compounds

Octahydro 4,4'-bipyridyl
CID 4867470
Hexahydroquinoline
CID 23352063
1-Methylenetetrahydroisoquinoline
CID 66925930
6-Piperidin-4-yl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 69099444
2-Piperidin-4-yl-6-(trifluoromethyl)-1,2-dihydropyridine
CID 69099446
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
N-[(5Z,6E)-3-(4-amino-3-fluorocyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085321
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085337
N-[(5Z,6E)-3-[(2Z,4E)-2-amino-1-fluorohepta-2,4-dien-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085351
N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085353
N-[(5Z,6E)-3-[(E)-6-amino-6-fluoro-5-methylhex-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085395
N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085543

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine (CID 135294936) is (1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine is C=C1C=CC(/C(N)=C/C(C)=C/C=C\CC2CCNCC2)=CC1.
What is the InChIKey of (1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine?
The InChIKey is DWVNESPDDWYCDG-DUXMTKGFSA-N. The full InChI is InChI=1S/C20H28N2/c1-16-7-9-19(10-8-16)20(21)15-17(2)5-3-4-6-18-11-13-22-14-12-18/h3-5,7,9-10,15,18,22H,1,6,8,11-14,21H2,2H3/b4-3-,17-5+,20-15-.
What are the key properties of (1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine?
(1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine has a molecular weight of 296.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 135294936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).