3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine

C13H23N3O — CID 116720727

IUPAC3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine
SMILESCCOC(C(C)C)C(N)c1cc(C)cnc1N
InChIInChI=1S/C13H23N3O/c1-5-17-12(8(2)3)11(14)10-6-9(4)7-16-13(10)15/h6-8,11-12H,5,14H2,1-4H3,(H2,15,16)
InChIKeyMJBSGCJEJCXGSR-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds5

About 3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine

3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine (PubChem CID 116720727) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine
PubChem CID116720727
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine
SMILESCCOC(C(C)C)C(N)c1cc(C)cnc1N
InChIInChI=1S/C13H23N3O/c1-5-17-12(8(2)3)11(14)10-6-9(4)7-16-13(10)15/h6-8,11-12H,5,14H2,1-4H3,(H2,15,16)
InChIKeyMJBSGCJEJCXGSR-UHFFFAOYSA-N
XLogP2.03
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxy-1-hydrazinyl-3-methylbutyl)-5-methylpyridin-2-amine
CID 105272591
3-(2-ethoxy-1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105223027
3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 79495031
5-methyl-3-pentan-2-ylpyridin-2-amine
CID 107887874
3-(2-ethoxy-1-hydrazinylpentyl)-5-methylpyridin-2-amine
CID 105271559
3-ethoxy-5-methylpyridin-2-amine
CID 86076858
3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine
CID 55291746
3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine
CID 79493469
1-(2-amino-5-methyl-3-pyridinyl)-2-cyclohexyl-2-ethoxyethanol
CID 116756726
1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
CID 103452733
3-(1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105201163
3-[1-(ethylamino)-2-methoxybutyl]-5-methylpyridin-2-amine
CID 116715605

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine (CID 116720727) is 3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine is CCOC(C(C)C)C(N)c1cc(C)cnc1N.
What is the InChIKey of 3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine?
The InChIKey is MJBSGCJEJCXGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-17-12(8(2)3)11(14)10-6-9(4)7-16-13(10)15/h6-8,11-12H,5,14H2,1-4H3,(H2,15,16).
What are the key properties of 3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine?
3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 116720727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).