3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine

C12H21N3O2 — CID 79493469

IUPAC3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine
SMILESCCNC(c1cc(C)cnc1N)C(OC)OC
InChIInChI=1S/C12H21N3O2/c1-5-14-10(12(16-3)17-4)9-6-8(2)7-15-11(9)13/h6-7,10,12,14H,5H2,1-4H3,(H2,13,15)
InChIKeyISPWTLKQRRAGIH-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.24
Rot. Bonds6

About 3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine

3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine (PubChem CID 79493469) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine
PubChem CID79493469
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine
SMILESCCNC(c1cc(C)cnc1N)C(OC)OC
InChIInChI=1S/C12H21N3O2/c1-5-14-10(12(16-3)17-4)9-6-8(2)7-15-11(9)13/h6-7,10,12,14H,5H2,1-4H3,(H2,13,15)
InChIKeyISPWTLKQRRAGIH-UHFFFAOYSA-N
XLogP1.24
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.24
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-methoxybutyl]-5-methylpyridin-2-amine
CID 116715605
3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 79495031
3-[(4-bromo-3,5-dimethylphenyl)-(ethylamino)methyl]-5-methylpyridin-2-amine
CID 114330580
3-(2-ethoxy-1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105223027
3-(1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105201163
3-(2-ethoxy-1-hydrazinyl-3-methylbutyl)-5-methylpyridin-2-amine
CID 105272591
3-(2-cyclopropyl-1-hydrazinyl-2-methoxyethyl)-5-methylpyridin-2-amine
CID 105272937
5-methyl-3-pentan-2-ylpyridin-2-amine
CID 107887874
3-(2-ethoxy-1-hydrazinylpentyl)-5-methylpyridin-2-amine
CID 105271559
3-(1-hydrazinylbutyl)-5-methylpyridin-2-amine
CID 105202307
3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine
CID 116720727
1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492567

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine (CID 79493469) is 3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine is CCNC(c1cc(C)cnc1N)C(OC)OC.
What is the InChIKey of 3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine?
The InChIKey is ISPWTLKQRRAGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-14-10(12(16-3)17-4)9-6-8(2)7-15-11(9)13/h6-7,10,12,14H,5H2,1-4H3,(H2,13,15).
What are the key properties of 3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine?
3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 79493469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).