N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

C11H20N2O — CID 114467440

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESC=C(C)COCCNC1=NCCCC1
InChIInChI=1S/C11H20N2O/c1-10(2)9-14-8-7-13-11-5-3-4-6-12-11/h1,3-9H2,2H3,(H,12,13)
InChIKeyLISDZTMRCZEUCG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.75
Rot. Bonds5

About N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 114467440) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID114467440
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESC=C(C)COCCNC1=NCCCC1
InChIInChI=1S/C11H20N2O/c1-10(2)9-14-8-7-13-11-5-3-4-6-12-11/h1,3-9H2,2H3,(H,12,13)
InChIKeyLISDZTMRCZEUCG-UHFFFAOYSA-N
XLogP1.75
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.75
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-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-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-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 114467440) is N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is C=C(C)COCCNC1=NCCCC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is LISDZTMRCZEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)9-14-8-7-13-11-5-3-4-6-12-11/h1,3-9H2,2H3,(H,12,13).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 196.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 114467440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).