2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol

C13H23N3O — CID 106251492

IUPAC2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nccc(C)c1N
InChIInChI=1S/C13H23N3O/c1-4-13(5-2,9-17)8-16-12-11(14)10(3)6-7-15-12/h6-7,17H,4-5,8-9,14H2,1-3H3,(H,15,16)
InChIKeyPRKCYZFDESJUFG-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.18
Rot. Bonds6

About 2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol

2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106251492) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106251492
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nccc(C)c1N
InChIInChI=1S/C13H23N3O/c1-4-13(5-2,9-17)8-16-12-11(14)10(3)6-7-15-12/h6-7,17H,4-5,8-9,14H2,1-3H3,(H,15,16)
InChIKeyPRKCYZFDESJUFG-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

Analyze 2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol with MolForge

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Related Compounds

3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66170315
5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide
CID 113334693
2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol
CID 103844406
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 65034190
5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154628
2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251360
2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 114164166
2-ethyl-2-[(pyrimidin-2-ylamino)methyl]butan-1-ol
CID 75431914
2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 114165208
2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258368
N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331288

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol (CID 106251492) is 2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1nccc(C)c1N.
What is the InChIKey of 2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is PRKCYZFDESJUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-13(5-2,9-17)8-16-12-11(14)10(3)6-7-15-12/h6-7,17H,4-5,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(3-amino-4-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-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106251492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).