2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine

C13H23N3O — CID 79176590

IUPAC2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine
SMILESCCC(C)N(CCOC)c1cc(C)c(N)cn1
InChIInChI=1S/C13H23N3O/c1-5-11(3)16(6-7-17-4)13-8-10(2)12(14)9-15-13/h8-9,11H,5-7,14H2,1-4H3
InChIKeyXREQKKNXTRKZOX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.22
Rot. Bonds6

About 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine

2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine (PubChem CID 79176590) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine
PubChem CID79176590
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine
SMILESCCC(C)N(CCOC)c1cc(C)c(N)cn1
InChIInChI=1S/C13H23N3O/c1-5-11(3)16(6-7-17-4)13-8-10(2)12(14)9-15-13/h8-9,11H,5-7,14H2,1-4H3
InChIKeyXREQKKNXTRKZOX-UHFFFAOYSA-N
XLogP2.22
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-methylpyridine-2,5-diamine
CID 79175638
2-N-(2-methoxyethyl)-5-methyl-2-N-pentan-3-ylpyridine-2,4-diamine
CID 83265340
4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
CID 55001536
4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80820334
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62289550
1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
CID 104528628
3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 102813754
5-(aminomethyl)-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyridin-2-amine
CID 80630796
6-(1-aminoethyl)-N-butan-2-yl-N-(2-methoxyethyl)pyridin-3-amine
CID 83122259
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
CID 80630535
2-N-(2-ethoxyethyl)-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 79175858

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine (CID 79176590) is 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine is CCC(C)N(CCOC)c1cc(C)c(N)cn1.
What is the InChIKey of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine?
The InChIKey is XREQKKNXTRKZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-11(3)16(6-7-17-4)13-8-10(2)12(14)9-15-13/h8-9,11H,5-7,14H2,1-4H3.
What are the key properties of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine?
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79176590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).