(2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol

C11H18N2O — CID 642217

IUPAC(2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol
SMILESCC(C)[C@H](CO)NCc1ccccn1
InChIInChI=1S/C11H18N2O/c1-9(2)11(8-14)13-7-10-5-3-4-6-12-10/h3-6,9,11,13-14H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyJHZULOZRRRPYEY-NSHDSACASA-N
MW194.28 g/mol
LogP1.19
Rot. Bonds5

About (2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol

(2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol (PubChem CID 642217) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol
PubChem CID642217
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol
SMILESCC(C)[C@H](CO)NCc1ccccn1
InChIInChI=1S/C11H18N2O/c1-9(2)11(8-14)13-7-10-5-3-4-6-12-10/h3-6,9,11,13-14H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyJHZULOZRRRPYEY-NSHDSACASA-N
XLogP1.19
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol (CID 642217) is (2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol is CC(C)[C@H](CO)NCc1ccccn1.
What is the InChIKey of (2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol?
The InChIKey is JHZULOZRRRPYEY-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)11(8-14)13-7-10-5-3-4-6-12-10/h3-6,9,11,13-14H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol?
(2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(pyridin-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 642217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).