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

C12H22N2O — CID 106314963

IUPACN-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
SMILESCNC1COCC1CN1CCC=C(C)C1
InChIInChI=1S/C12H22N2O/c1-10-4-3-5-14(6-10)7-11-8-15-9-12(11)13-2/h4,11-13H,3,5-9H2,1-2H3
InChIKeyGZGWLAHLKZJEEX-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.87
Rot. Bonds3

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

N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine (PubChem CID 106314963) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
PubChem CID106314963
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
SMILESCNC1COCC1CN1CCC=C(C)C1
InChIInChI=1S/C12H22N2O/c1-10-4-3-5-14(6-10)7-11-8-15-9-12(11)13-2/h4,11-13H,3,5-9H2,1-2H3
InChIKeyGZGWLAHLKZJEEX-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-[[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
4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256569
4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine
CID 66257577
N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
CID 66259902

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine (CID 106314963) is N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine is CNC1COCC1CN1CCC=C(C)C1.
What is the InChIKey of N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The InChIKey is GZGWLAHLKZJEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-4-3-5-14(6-10)7-11-8-15-9-12(11)13-2/h4,11-13H,3,5-9H2,1-2H3.
What are the key properties of N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 106314963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).