4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol

C11H19N3O — CID 79356009

IUPAC4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
SMILESCN(CCC(C)(C)O)c1ccncc1N
InChIInChI=1S/C11H19N3O/c1-11(2,15)5-7-14(3)10-4-6-13-8-9(10)12/h4,6,8,15H,5,7,12H2,1-3H3
InChIKeyYHJLDLVNQYPRRW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.26
Rot. Bonds4

About 4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol

4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol (PubChem CID 79356009) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
PubChem CID79356009
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
SMILESCN(CCC(C)(C)O)c1ccncc1N
InChIInChI=1S/C11H19N3O/c1-11(2,15)5-7-14(3)10-4-6-13-8-9(10)12/h4,6,8,15H,5,7,12H2,1-3H3
InChIKeyYHJLDLVNQYPRRW-UHFFFAOYSA-N
XLogP1.26
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414
4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
CID 116616296
4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine
CID 62698618
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile
CID 61358059
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
CID 79222292
4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine
CID 103003367
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine
CID 54956565
2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 61245195

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol (CID 79356009) is 4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol is CN(CCC(C)(C)O)c1ccncc1N.
What is the InChIKey of 4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol?
The InChIKey is YHJLDLVNQYPRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,15)5-7-14(3)10-4-6-13-8-9(10)12/h4,6,8,15H,5,7,12H2,1-3H3.
What are the key properties of 4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol?
4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 79356009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).