N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine

C12H20N2O2 — CID 62583823

IUPACN-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine
SMILESCOCCCNCC(C)Oc1cccnc1
InChIInChI=1S/C12H20N2O2/c1-11(9-13-7-4-8-15-2)16-12-5-3-6-14-10-12/h3,5-6,10-11,13H,4,7-9H2,1-2H3
InChIKeySQZJUMDVQLQTRY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.48
Rot. Bonds8

About N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine

N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine (PubChem CID 62583823) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine
PubChem CID62583823
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine
SMILESCOCCCNCC(C)Oc1cccnc1
InChIInChI=1S/C12H20N2O2/c1-11(9-13-7-4-8-15-2)16-12-5-3-6-14-10-12/h3,5-6,10-11,13H,4,7-9H2,1-2H3
InChIKeySQZJUMDVQLQTRY-UHFFFAOYSA-N
XLogP1.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(3-methylsulfonylphenoxy)propan-1-amine
CID 62582683
N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine
CID 103228026
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine
CID 94497598
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 54803190
N-(2-pyridin-3-yloxypropyl)pentan-2-amine
CID 62583825
3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
CID 62583458
2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 104708487
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine
CID 62570990
N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide
CID 95131886

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine (CID 62583823) is N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine is COCCCNCC(C)Oc1cccnc1.
What is the InChIKey of N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine?
The InChIKey is SQZJUMDVQLQTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(9-13-7-4-8-15-2)16-12-5-3-6-14-10-12/h3,5-6,10-11,13H,4,7-9H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine?
N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine is sourced from PubChem (CID 62583823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).