2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol

C13H22N2O — CID 66178619

IUPAC2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol
SMILESCc1ccc(NCC(C)(O)CC(C)C)nc1
InChIInChI=1S/C13H22N2O/c1-10(2)7-13(4,16)9-15-12-6-5-11(3)8-14-12/h5-6,8,10,16H,7,9H2,1-4H3,(H,14,15)
InChIKeyKWWCSCGKOGGWJV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.60
Rot. Bonds5

About 2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol

2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol (PubChem CID 66178619) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol
PubChem CID66178619
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol
SMILESCc1ccc(NCC(C)(O)CC(C)C)nc1
InChIInChI=1S/C13H22N2O/c1-10(2)7-13(4,16)9-15-12-6-5-11(3)8-14-12/h5-6,8,10,16H,7,9H2,1-4H3,(H,14,15)
InChIKeyKWWCSCGKOGGWJV-UHFFFAOYSA-N
XLogP2.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol (CID 66178619) is 2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol is Cc1ccc(NCC(C)(O)CC(C)C)nc1.
What is the InChIKey of 2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol?
The InChIKey is KWWCSCGKOGGWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)7-13(4,16)9-15-12-6-5-11(3)8-14-12/h5-6,8,10,16H,7,9H2,1-4H3,(H,14,15).
What are the key properties of 2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol?
2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 66178619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).