3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine

C13H23N3O — CID 106815087

IUPAC3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine
SMILESCCCNC(CCOCC)c1cnccc1N
InChIInChI=1S/C13H23N3O/c1-3-7-16-13(6-9-17-4-2)11-10-15-8-5-12(11)14/h5,8,10,13,16H,3-4,6-7,9H2,1-2H3,(H2,14,15)
InChIKeyMZPXFLTXEINGPV-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.13
Rot. Bonds8

About 3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine

3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine (PubChem CID 106815087) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine
PubChem CID106815087
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine
SMILESCCCNC(CCOCC)c1cnccc1N
InChIInChI=1S/C13H23N3O/c1-3-7-16-13(6-9-17-4-2)11-10-15-8-5-12(11)14/h5,8,10,13,16H,3-4,6-7,9H2,1-2H3,(H2,14,15)
InChIKeyMZPXFLTXEINGPV-UHFFFAOYSA-N
XLogP2.13
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-amino-3-ethoxypropyl)pyridin-4-amine
CID 106815066
3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine
CID 113391490
3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-4-amine
CID 114878589
3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine
CID 116662156
1-(4-amino-3-pyridinyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092538
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine
CID 66148525
3-[1-(ethylamino)but-3-enyl]pyridin-4-amine
CID 116660865
3-(2,2-difluoroethoxy)-N-propyl-1-pyridin-3-ylpropan-1-amine
CID 103150047
3-[2-methoxy-2-phenyl-1-(propylamino)ethyl]pyridin-4-amine
CID 116773275
4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708203
3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine
CID 103475792

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine?
The IUPAC name of 3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine (CID 106815087) is 3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine.
What is the SMILES notation for 3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine?
The canonical SMILES for 3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine is CCCNC(CCOCC)c1cnccc1N.
What is the InChIKey of 3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine?
The InChIKey is MZPXFLTXEINGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-16-13(6-9-17-4-2)11-10-15-8-5-12(11)14/h5,8,10,13,16H,3-4,6-7,9H2,1-2H3,(H2,14,15).
What are the key properties of 3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine?
3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine is sourced from PubChem (CID 106815087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).