N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine

C15H28N2O — CID 143375872

IUPACN-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine
SMILESC=C(/C=C(\C)OCC)CN(C)C1CCN(C)CC1
InChIInChI=1S/C15H28N2O/c1-6-18-14(3)11-13(2)12-17(5)15-7-9-16(4)10-8-15/h11,15H,2,6-10,12H2,1,3-5H3/b14-11+
InChIKeyQCEQPAYUDOKZOK-SDNWHVSQSA-N
MW252.40 g/mol
LogP2.51
Rot. Bonds6

About N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine

N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 143375872) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine
PubChem CID143375872
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine
SMILESC=C(/C=C(\C)OCC)CN(C)C1CCN(C)CC1
InChIInChI=1S/C15H28N2O/c1-6-18-14(3)11-13(2)12-17(5)15-7-9-16(4)10-8-15/h11,15H,2,6-10,12H2,1,3-5H3/b14-11+
InChIKeyQCEQPAYUDOKZOK-SDNWHVSQSA-N
XLogP2.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-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 N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine (CID 143375872) is N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine is C=C(/C=C(\C)OCC)CN(C)C1CCN(C)CC1.
What is the InChIKey of N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is QCEQPAYUDOKZOK-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-18-14(3)11-13(2)12-17(5)15-7-9-16(4)10-8-15/h11,15H,2,6-10,12H2,1,3-5H3/b14-11+.
What are the key properties of N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine?
N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 252.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 143375872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).