3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine

C15H27N3O2 — CID 79495031

IUPAC3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine
SMILESCCCNC(c1cc(C)cnc1N)C(OCC)OCC
InChIInChI=1S/C15H27N3O2/c1-5-8-17-13(15(19-6-2)20-7-3)12-9-11(4)10-18-14(12)16/h9-10,13,15,17H,5-8H2,1-4H3,(H2,16,18)
InChIKeyWUWLDECWLKYTCR-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.41
Rot. Bonds9

About 3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine

3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine (PubChem CID 79495031) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine
PubChem CID79495031
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine
SMILESCCCNC(c1cc(C)cnc1N)C(OCC)OCC
InChIInChI=1S/C15H27N3O2/c1-5-8-17-13(15(19-6-2)20-7-3)12-9-11(4)10-18-14(12)16/h9-10,13,15,17H,5-8H2,1-4H3,(H2,16,18)
InChIKeyWUWLDECWLKYTCR-UHFFFAOYSA-N
XLogP2.41
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine
CID 79493469
3-(2-ethoxy-1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105223027
3-(2-ethoxy-1-hydrazinylpentyl)-5-methylpyridin-2-amine
CID 105271559
3-(2-ethoxy-1-hydrazinyl-3-methylbutyl)-5-methylpyridin-2-amine
CID 105272591
5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine
CID 114878633
3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine
CID 80610949
3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine
CID 114016560
3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine
CID 116720727
3-[3-(2,2-difluoroethoxy)-1-(propylamino)propyl]-5-methylpyridin-2-amine
CID 103150032
3-ethoxy-5-methylpyridin-2-amine
CID 86076858
3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 65144255
3-[1-(ethylamino)-2-methoxybutyl]-5-methylpyridin-2-amine
CID 116715605

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine (CID 79495031) is 3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine is CCCNC(c1cc(C)cnc1N)C(OCC)OCC.
What is the InChIKey of 3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine?
The InChIKey is WUWLDECWLKYTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-8-17-13(15(19-6-2)20-7-3)12-9-11(4)10-18-14(12)16/h9-10,13,15,17H,5-8H2,1-4H3,(H2,16,18).
What are the key properties of 3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine?
3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 79495031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).