3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine

C11H18N2O — CID 28673557

IUPAC3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCOCCCN[C@@H](C)c1cccnc1
InChIInChI=1S/C11H18N2O/c1-10(13-7-4-8-14-2)11-5-3-6-12-9-11/h3,5-6,9-10,13H,4,7-8H2,1-2H3/t10-/m0/s1
InChIKeyFTQRPJUWJQNQLQ-JTQLQIEISA-N
MW194.28 g/mol
LogP1.77
Rot. Bonds6

About 3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine

3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine (PubChem CID 28673557) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
PubChem CID28673557
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCOCCCN[C@@H](C)c1cccnc1
InChIInChI=1S/C11H18N2O/c1-10(13-7-4-8-14-2)11-5-3-6-12-9-11/h3,5-6,9-10,13H,4,7-8H2,1-2H3/t10-/m0/s1
InChIKeyFTQRPJUWJQNQLQ-JTQLQIEISA-N
XLogP1.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine
CID 81404326
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
N-(2-butoxyethyl)-1-pyridin-3-ylethanamine
CID 61171825
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
3-(furan-2-ylmethoxy)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43205758
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine (CID 28673557) is 3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine is COCCCN[C@@H](C)c1cccnc1.
What is the InChIKey of 3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is FTQRPJUWJQNQLQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(13-7-4-8-14-2)11-5-3-6-12-9-11/h3,5-6,9-10,13H,4,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine?
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 28673557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).