2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol

C12H20N2O — CID 115375580

IUPAC2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol
SMILESCc1cncc(C(C)(O)CNC(C)C)c1
InChIInChI=1S/C12H20N2O/c1-9(2)14-8-12(4,15)11-5-10(3)6-13-7-11/h5-7,9,14-15H,8H2,1-4H3
InChIKeyJWUYXRURYWBYLO-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.60
Rot. Bonds4

About 2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol

2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol (PubChem CID 115375580) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol
PubChem CID115375580
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol
SMILESCc1cncc(C(C)(O)CNC(C)C)c1
InChIInChI=1S/C12H20N2O/c1-9(2)14-8-12(4,15)11-5-10(3)6-13-7-11/h5-7,9,14-15H,8H2,1-4H3
InChIKeyJWUYXRURYWBYLO-UHFFFAOYSA-N
XLogP1.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.60
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)-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol (CID 115375580) is 2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol is Cc1cncc(C(C)(O)CNC(C)C)c1.
What is the InChIKey of 2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is JWUYXRURYWBYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)14-8-12(4,15)11-5-10(3)6-13-7-11/h5-7,9,14-15H,8H2,1-4H3.
What are the key properties of 2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol?
2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 1.60, 4 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)-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 115375580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).