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

C14H26N2O — CID 106314886

IUPAC4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN1CCC=C(C)C1
InChIInChI=1S/C14H26N2O/c1-3-6-15-14-11-17-10-13(14)9-16-7-4-5-12(2)8-16/h5,13-15H,3-4,6-11H2,1-2H3
InChIKeyFLBONOOCDFBBGI-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.65
Rot. Bonds5

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

4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine (PubChem CID 106314886) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine
PubChem CID106314886
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN1CCC=C(C)C1
InChIInChI=1S/C14H26N2O/c1-3-6-15-14-11-17-10-13(14)9-16-7-4-5-12(2)8-16/h5,13-15H,3-4,6-11H2,1-2H3
InChIKeyFLBONOOCDFBBGI-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.65
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 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine (CID 106314886) is 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine is CCCNC1COCC1CN1CCC=C(C)C1.
What is the InChIKey of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine?
The InChIKey is FLBONOOCDFBBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-6-15-14-11-17-10-13(14)9-16-7-4-5-12(2)8-16/h5,13-15H,3-4,6-11H2,1-2H3.
What are the key properties of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine?
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-N-propyloxolan-3-amine has a molecular weight of 238.37 g/mol, XLogP of 1.65, 5 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]-N-propyloxolan-3-amine is sourced from PubChem (CID 106314886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).