1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine

C13H22N2O2 — CID 79493387

IUPAC1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine
SMILESCCCNC(Cc1ccncc1)C(OC)OC
InChIInChI=1S/C13H22N2O2/c1-4-7-15-12(13(16-2)17-3)10-11-5-8-14-9-6-11/h5-6,8-9,12-13,15H,4,7,10H2,1-3H3
InChIKeyYBQVEDPDTJGJSU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds8

About 1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine

1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine (PubChem CID 79493387) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine
PubChem CID79493387
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine
SMILESCCCNC(Cc1ccncc1)C(OC)OC
InChIInChI=1S/C13H22N2O2/c1-4-7-15-12(13(16-2)17-3)10-11-5-8-14-9-6-11/h5-6,8-9,12-13,15H,4,7,10H2,1-3H3
InChIKeyYBQVEDPDTJGJSU-UHFFFAOYSA-N
XLogP1.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116717105
4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 62605290
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
6-methoxy-4-methyl-N-propyl-1-pyridin-4-ylhexan-3-amine
CID 105185077
1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760658
3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine
CID 116720474
3-(1,3-benzothiazol-2-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79819111
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63155526
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
4-[3-methoxy-2-(propylamino)hexyl]pyridin-2-amine
CID 116719566
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine (CID 79493387) is 1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine is CCCNC(Cc1ccncc1)C(OC)OC.
What is the InChIKey of 1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine?
The InChIKey is YBQVEDPDTJGJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-7-15-12(13(16-2)17-3)10-11-5-8-14-9-6-11/h5-6,8-9,12-13,15H,4,7,10H2,1-3H3.
What are the key properties of 1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine?
1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 79493387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).