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

C10H20N2O — CID 103227334

IUPAC3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCOCC(CN)N1CC=C(C)CC1
InChIInChI=1S/C10H20N2O/c1-9-3-5-12(6-4-9)10(7-11)8-13-2/h3,10H,4-8,11H2,1-2H3
InChIKeyVMRBNFOYWKLKRC-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.61
Rot. Bonds4

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

3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (PubChem CID 103227334) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
PubChem CID103227334
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCOCC(CN)N1CC=C(C)CC1
InChIInChI=1S/C10H20N2O/c1-9-3-5-12(6-4-9)10(7-11)8-13-2/h3,10H,4-8,11H2,1-2H3
InChIKeyVMRBNFOYWKLKRC-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.61
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)propan-1-amine?
The IUPAC name of 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (CID 103227334) is 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine is COCC(CN)N1CC=C(C)CC1.
What is the InChIKey of 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The InChIKey is VMRBNFOYWKLKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9-3-5-12(6-4-9)10(7-11)8-13-2/h3,10H,4-8,11H2,1-2H3.
What are the key properties of 3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine has a molecular weight of 184.28 g/mol, XLogP of 0.61, 4 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)propan-1-amine is sourced from PubChem (CID 103227334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).