N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine

C13H22N2O — CID 103269882

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine
SMILESCCOCC(Nc1cc(C)ccn1)C(C)C
InChIInChI=1S/C13H22N2O/c1-5-16-9-12(10(2)3)15-13-8-11(4)6-7-14-13/h6-8,10,12H,5,9H2,1-4H3,(H,14,15)
InChIKeyADNVFHGUIANQDK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.86
Rot. Bonds6

About N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine

N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine (PubChem CID 103269882) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine
PubChem CID103269882
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine
SMILESCCOCC(Nc1cc(C)ccn1)C(C)C
InChIInChI=1S/C13H22N2O/c1-5-16-9-12(10(2)3)15-13-8-11(4)6-7-14-13/h6-8,10,12H,5,9H2,1-4H3,(H,14,15)
InChIKeyADNVFHGUIANQDK-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloro-4-methylpentan-3-yl)-4-methylpyridin-2-amine
CID 106354306
2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine
CID 103269905
N-(1-ethoxy-3-methylbutan-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 103269974
N-(4-methoxybutan-2-yl)-4-methylpyridin-2-amine
CID 64604062
2-ethoxy-1-(4-methyl-2-pyridinyl)ethanamine
CID 79575554
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine
CID 103270021
N-(4-chlorobutan-2-yl)-4-methylpyridin-2-amine
CID 83188560
(2S)-2-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 130720526
4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 114114612
N-(1-ethoxy-3-methylbutan-2-yl)pyrido[4,3-d]pyrimidin-5-amine
CID 136561986
2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79254832
5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine
CID 103580433

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine (CID 103269882) is N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine is CCOCC(Nc1cc(C)ccn1)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine?
The InChIKey is ADNVFHGUIANQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-16-9-12(10(2)3)15-13-8-11(4)6-7-14-13/h6-8,10,12H,5,9H2,1-4H3,(H,14,15).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine?
N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine is sourced from PubChem (CID 103269882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).