N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine

C13H26N2O — CID 62556902

IUPACN-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCCC(OCCC)C1
InChIInChI=1S/C13H26N2O/c1-3-7-14-8-10-15-9-5-6-13(12-15)16-11-4-2/h3,13-14H,1,4-12H2,2H3
InChIKeyBLBJPCWUCRFJPZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds8

About N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine

N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine (PubChem CID 62556902) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine
PubChem CID62556902
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCCC(OCCC)C1
InChIInChI=1S/C13H26N2O/c1-3-7-14-8-10-15-9-5-6-13(12-15)16-11-4-2/h3,13-14H,1,4-12H2,2H3
InChIKeyBLBJPCWUCRFJPZ-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-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 N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine (CID 62556902) is N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine is C=CCNCCN1CCCC(OCCC)C1.
What is the InChIKey of N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine?
The InChIKey is BLBJPCWUCRFJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-7-14-8-10-15-9-5-6-13(12-15)16-11-4-2/h3,13-14H,1,4-12H2,2H3.
What are the key properties of N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine?
N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propoxypiperidin-1-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 62556902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).