(1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine

C13H24N2O — CID 143240412

IUPAC(1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)CCOC1CCN(C)CC1
InChIInChI=1S/C13H24N2O/c1-3-12(4-8-14)7-11-16-13-5-9-15(2)10-6-13/h3-4,8,13H,5-7,9-11,14H2,1-2H3/b8-4-,12-3+
InChIKeyHJNXVCASOQCOED-XSYVUGNQSA-N
MW224.35 g/mol
LogP1.91
Rot. Bonds5

About (1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine

(1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine (PubChem CID 143240412) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine
PubChem CID143240412
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)CCOC1CCN(C)CC1
InChIInChI=1S/C13H24N2O/c1-3-12(4-8-14)7-11-16-13-5-9-15(2)10-6-13/h3-4,8,13H,5-7,9-11,14H2,1-2H3/b8-4-,12-3+
InChIKeyHJNXVCASOQCOED-XSYVUGNQSA-N
XLogP1.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-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 (1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine (CID 143240412) is (1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine is C/C=C(\C=C/N)CCOC1CCN(C)CC1.
What is the InChIKey of (1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine?
The InChIKey is HJNXVCASOQCOED-XSYVUGNQSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-12(4-8-14)7-11-16-13-5-9-15(2)10-6-13/h3-4,8,13H,5-7,9-11,14H2,1-2H3/b8-4-,12-3+.
What are the key properties of (1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine?
(1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-[2-(1-methylpiperidin-4-yl)oxyethyl]penta-1,3-dien-1-amine is sourced from PubChem (CID 143240412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).