2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol

C13H23N3O — CID 114164166

IUPAC2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(N)c(C)cn1
InChIInChI=1S/C13H23N3O/c1-4-13(5-2,9-17)8-16-12-6-11(14)10(3)7-15-12/h6-7,17H,4-5,8-9H2,1-3H3,(H3,14,15,16)
InChIKeyGFTBSWRILKKJEY-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.18
Rot. Bonds6

About 2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol

2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 114164166) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID114164166
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(N)c(C)cn1
InChIInChI=1S/C13H23N3O/c1-4-13(5-2,9-17)8-16-12-6-11(14)10(3)7-15-12/h6-7,17H,4-5,8-9H2,1-3H3,(H3,14,15,16)
InChIKeyGFTBSWRILKKJEY-UHFFFAOYSA-N
XLogP2.18
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol
CID 83265169
3-[(4-amino-5-methyl-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106275165
5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine
CID 106328082
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113783
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844350
2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251512
[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231544
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 114164755
2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251492
2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine
CID 83266255
2-N-(2,3-dimethylbutyl)-5-methylpyridine-2,4-diamine
CID 83266034

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol (CID 114164166) is 2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1cc(N)c(C)cn1.
What is the InChIKey of 2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is GFTBSWRILKKJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-13(5-2,9-17)8-16-12-6-11(14)10(3)7-15-12/h6-7,17H,4-5,8-9H2,1-3H3,(H3,14,15,16).
What are the key properties of 2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 114164166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).