(2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine

C19H28N2 — CID 143003980

IUPAC(2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine
SMILESC/C(N)=C/C=C\CC1CCCN(CC2=CC=CCC=C2)C1
InChIInChI=1S/C19H28N2/c1-17(20)9-6-7-12-19-13-8-14-21(16-19)15-18-10-4-2-3-5-11-18/h2,4-7,9-11,19H,3,8,12-16,20H2,1H3/b7-6-,17-9-
InChIKeyYVEDFYZYNYORAG-SKTWDZOCSA-N
MW284.45 g/mol
LogP3.95
Rot. Bonds5

About (2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine

(2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine (PubChem CID 143003980) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine
PubChem CID143003980
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine
SMILESC/C(N)=C/C=C\CC1CCCN(CC2=CC=CCC=C2)C1
InChIInChI=1S/C19H28N2/c1-17(20)9-6-7-12-19-13-8-14-21(16-19)15-18-10-4-2-3-5-11-18/h2,4-7,9-11,19H,3,8,12-16,20H2,1H3/b7-6-,17-9-
InChIKeyYVEDFYZYNYORAG-SKTWDZOCSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine 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

4-[1-(2-Fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine
CID 123442072
N-fluoro-5-(1-methylpiperidin-4-yl)cyclohepta-1,3,6-trien-1-amine
CID 134365781
(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine
CID 137483340
1-[5-[[(5E)-1-[2-[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidene-5-prop-2-enylidenepyrrol-3-yl]methyl]cyclohepta-1,3,6-trien-1-yl]-N-methylmethanamine
CID 144880012
4-Fluoro-4-(1-methylpiperidin-4-yl)cyclohexa-1,5-dien-1-amine
CID 152035661
4-[4-[Ethyl(methyl)amino]butan-2-yl]-3-fluorocyclohexa-1,3-dien-1-amine
CID 144296077
3-ethenyl-2-[(Z)-3-fluoroprop-1-enyl]-4-methyl-7-[(1E,5Z,7Z)-3-methyl-6-(4-methylpiperidin-1-yl)cycloocta-1,5,7-trien-1-yl]-4,5-dihydro-1H-azepine
CID 144482206
(3Z,5Z)-4-ethenyl-5-(4-fluoro-4-methylpiperidin-1-yl)octa-1,3,5-trien-3-amine
CID 156796461
4-[(3-Methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111049
1,2,3,4,4a,5-Hexahydroquinoline;methanamine
CID 67684576
1-(2-methylprop-2-enyl)-3,4,4a,5-tetrahydro-2H-quinoline
CID 67901449
2-[5-ethenyl-1,2-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-3-yl]-N-(piperidin-4-ylmethyl)ethanamine
CID 68039681

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine (CID 143003980) is (2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine is C/C(N)=C/C=C\CC1CCCN(CC2=CC=CCC=C2)C1.
What is the InChIKey of (2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine?
The InChIKey is YVEDFYZYNYORAG-SKTWDZOCSA-N. The full InChI is InChI=1S/C19H28N2/c1-17(20)9-6-7-12-19-13-8-14-21(16-19)15-18-10-4-2-3-5-11-18/h2,4-7,9-11,19H,3,8,12-16,20H2,1H3/b7-6-,17-9-.
What are the key properties of (2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine?
(2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine has a molecular weight of 284.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-[1-(cyclohepta-1,3,6-trien-1-ylmethyl)piperidin-3-yl]hexa-2,4-dien-2-amine is sourced from PubChem (CID 143003980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).