2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol

C13H23N3O — CID 81413581

IUPAC2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1ccc(N(C)C)nc1
InChIInChI=1S/C13H23N3O/c1-5-13(2,10-17)9-15-11-6-7-12(14-8-11)16(3)4/h6-8,15,17H,5,9-10H2,1-4H3
InChIKeyUQQDJEPUTFLZAZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.97
Rot. Bonds6

About 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol

2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol (PubChem CID 81413581) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol
PubChem CID81413581
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1ccc(N(C)C)nc1
InChIInChI=1S/C13H23N3O/c1-5-13(2,10-17)9-15-11-6-7-12(14-8-11)16(3)4/h6-8,15,17H,5,9-10H2,1-4H3
InChIKeyUQQDJEPUTFLZAZ-UHFFFAOYSA-N
XLogP1.97
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol (CID 81413581) is 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNc1ccc(N(C)C)nc1.
What is the InChIKey of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol?
The InChIKey is UQQDJEPUTFLZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-13(2,10-17)9-15-11-6-7-12(14-8-11)16(3)4/h6-8,15,17H,5,9-10H2,1-4H3.
What are the key properties of 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol?
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81413581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).