3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine

C13H26N2O — CID 103227332

IUPAC3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)N1CC=C(C)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-9-13(10-16-4)15-7-5-12(3)6-8-15/h5,11,13-14H,6-10H2,1-4H3
InChIKeyOBDJGKVTLAVHBF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds6

About 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine

3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 103227332) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
PubChem CID103227332
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)N1CC=C(C)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-9-13(10-16-4)15-7-5-12(3)6-8-15/h5,11,13-14H,6-10H2,1-4H3
InChIKeyOBDJGKVTLAVHBF-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine (CID 103227332) is 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)N1CC=C(C)CC1.
What is the InChIKey of 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is OBDJGKVTLAVHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-9-13(10-16-4)15-7-5-12(3)6-8-15/h5,11,13-14H,6-10H2,1-4H3.
What are the key properties of 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine?
3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103227332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).