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

C11H18N2O — CID 65337688

IUPAC2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol
SMILESCc1ccncc1NC(C)C(C)(C)O
InChIInChI=1S/C11H18N2O/c1-8-5-6-12-7-10(8)13-9(2)11(3,4)14/h5-7,9,13-14H,1-4H3
InChIKeyFDLLSEDZYKLUOE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.96
Rot. Bonds3

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

2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol (PubChem CID 65337688) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol
PubChem CID65337688
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol
SMILESCc1ccncc1NC(C)C(C)(C)O
InChIInChI=1S/C11H18N2O/c1-8-5-6-12-7-10(8)13-9(2)11(3,4)14/h5-7,9,13-14H,1-4H3
InChIKeyFDLLSEDZYKLUOE-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol (CID 65337688) is 2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol is Cc1ccncc1NC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol?
The InChIKey is FDLLSEDZYKLUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-5-6-12-7-10(8)13-9(2)11(3,4)14/h5-7,9,13-14H,1-4H3.
What are the key properties of 2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol?
2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 65337688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).