2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol

C13H22N2O — CID 115375573

IUPAC2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol
SMILESCc1cncc(C(C)(O)CCNC(C)C)c1
InChIInChI=1S/C13H22N2O/c1-10(2)15-6-5-13(4,16)12-7-11(3)8-14-9-12/h7-10,15-16H,5-6H2,1-4H3
InChIKeyOPZDTWXIMGLSMW-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.99
Rot. Bonds5

About 2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol

2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol (PubChem CID 115375573) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol
PubChem CID115375573
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol
SMILESCc1cncc(C(C)(O)CCNC(C)C)c1
InChIInChI=1S/C13H22N2O/c1-10(2)15-6-5-13(4,16)12-7-11(3)8-14-9-12/h7-10,15-16H,5-6H2,1-4H3
InChIKeyOPZDTWXIMGLSMW-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol (CID 115375573) is 2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol is Cc1cncc(C(C)(O)CCNC(C)C)c1.
What is the InChIKey of 2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is OPZDTWXIMGLSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)15-6-5-13(4,16)12-7-11(3)8-14-9-12/h7-10,15-16H,5-6H2,1-4H3.
What are the key properties of 2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol?
2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 115375573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).