N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine

C12H21NO2 — CID 115896025

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCC1=CCOCC1
InChIInChI=1S/C12H21NO2/c1-10-12(5-9-15-10)13-6-2-11-3-7-14-8-4-11/h3,10,12-13H,2,4-9H2,1H3
InChIKeyARKQBOWXRKVCLI-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine (PubChem CID 115896025) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine
PubChem CID115896025
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCCC1=CCOCC1
InChIInChI=1S/C12H21NO2/c1-10-12(5-9-15-10)13-6-2-11-3-7-14-8-4-11/h3,10,12-13H,2,4-9H2,1H3
InChIKeyARKQBOWXRKVCLI-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-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-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine (CID 115896025) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine is CC1OCCC1NCCC1=CCOCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine?
The InChIKey is ARKQBOWXRKVCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-12(5-9-15-10)13-6-2-11-3-7-14-8-4-11/h3,10,12-13H,2,4-9H2,1H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 115896025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).