4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine

C11H20N2O — CID 106315055

IUPAC4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
SMILESCC1=CCCN(CC2COCC2N)C1
InChIInChI=1S/C11H20N2O/c1-9-3-2-4-13(5-9)6-10-7-14-8-11(10)12/h3,10-11H,2,4-8,12H2,1H3
InChIKeyVMNNPJAOBQQZPH-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.61
Rot. Bonds2

About 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine

4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine (PubChem CID 106315055) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
PubChem CID106315055
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
SMILESCC1=CCCN(CC2COCC2N)C1
InChIInChI=1S/C11H20N2O/c1-9-3-2-4-13(5-9)6-10-7-14-8-11(10)12/h3,10-11H,2,4-8,12H2,1H3
InChIKeyVMNNPJAOBQQZPH-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-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

Related Compounds

4-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 113591686
N-propyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490092
N-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490158
4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490202
N-ethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490231
N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine
CID 154992836
4-[[Ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
CID 66237522
4-[[Bis(prop-2-enyl)amino]methyl]oxolan-3-amine
CID 66237924
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine
CID 66246557
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine
CID 66255810
N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
CID 66259902
4-[[Methyl(prop-2-enyl)amino]methyl]oxolan-3-amine
CID 81811162

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine (CID 106315055) is 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine is CC1=CCCN(CC2COCC2N)C1.
What is the InChIKey of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The InChIKey is VMNNPJAOBQQZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-3-2-4-13(5-9)6-10-7-14-8-11(10)12/h3,10-11H,2,4-8,12H2,1H3.
What are the key properties of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine has a molecular weight of 196.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 106315055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).