(3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine

C15H24N2 — CID 118612512

IUPAC(3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine
SMILESC=CN(C)C(=C)/C=C\C(=C)C1CCN(C)CC1
InChIInChI=1S/C15H24N2/c1-6-17(5)14(3)8-7-13(2)15-9-11-16(4)12-10-15/h6-8,15H,1-3,9-12H2,4-5H3/b8-7-
InChIKeyDXALTEKDGIGENC-FPLPWBNLSA-N
MW232.37 g/mol
LogP3.03
Rot. Bonds5

About (3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine

(3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine (PubChem CID 118612512) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine
PubChem CID118612512
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine
SMILESC=CN(C)C(=C)/C=C\C(=C)C1CCN(C)CC1
InChIInChI=1S/C15H24N2/c1-6-17(5)14(3)8-7-13(2)15-9-11-16(4)12-10-15/h6-8,15H,1-3,9-12H2,4-5H3/b8-7-
InChIKeyDXALTEKDGIGENC-FPLPWBNLSA-N
XLogP3.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-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

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine (CID 118612512) is (3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine is C=CN(C)C(=C)/C=C\C(=C)C1CCN(C)CC1.
What is the InChIKey of (3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine?
The InChIKey is DXALTEKDGIGENC-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-17(5)14(3)8-7-13(2)15-9-11-16(4)12-10-15/h6-8,15H,1-3,9-12H2,4-5H3/b8-7-.
What are the key properties of (3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine?
(3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine has a molecular weight of 232.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-N-methyl-5-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 118612512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).