3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine

C12H22N2O — CID 170638873

IUPAC3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine
SMILESCOCCCNC(C)C1=CC=CNC1C
InChIInChI=1S/C12H22N2O/c1-10-12(6-4-7-13-10)11(2)14-8-5-9-15-3/h4,6-7,10-11,13-14H,5,8-9H2,1-3H3
InChIKeyCIHGWMMNFNCUMZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds6

About 3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine

3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine (PubChem CID 170638873) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine
PubChem CID170638873
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine
SMILESCOCCCNC(C)C1=CC=CNC1C
InChIInChI=1S/C12H22N2O/c1-10-12(6-4-7-13-10)11(2)14-8-5-9-15-3/h4,6-7,10-11,13-14H,5,8-9H2,1-3H3
InChIKeyCIHGWMMNFNCUMZ-UHFFFAOYSA-N
XLogP1.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine (CID 170638873) is 3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine is COCCCNC(C)C1=CC=CNC1C.
What is the InChIKey of 3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine?
The InChIKey is CIHGWMMNFNCUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-12(6-4-7-13-10)11(2)14-8-5-9-15-3/h4,6-7,10-11,13-14H,5,8-9H2,1-3H3.
What are the key properties of 3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine?
3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(2-methyl-1,2-dihydropyridin-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 170638873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).