(1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol

C12H20N2O — CID 124502320

IUPAC(1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol
SMILESCCCNc1ccc([C@H](O)CC)c(C)n1
InChIInChI=1S/C12H20N2O/c1-4-8-13-12-7-6-10(9(3)14-12)11(15)5-2/h6-7,11,15H,4-5,8H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyDEDAPRSRIOATLL-LLVKDONJSA-N
MW208.30 g/mol
LogP2.66
Rot. Bonds5

About (1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol

(1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol (PubChem CID 124502320) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol
PubChem CID124502320
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol
SMILESCCCNc1ccc([C@H](O)CC)c(C)n1
InChIInChI=1S/C12H20N2O/c1-4-8-13-12-7-6-10(9(3)14-12)11(15)5-2/h6-7,11,15H,4-5,8H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyDEDAPRSRIOATLL-LLVKDONJSA-N
XLogP2.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol (CID 124502320) is (1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol is CCCNc1ccc([C@H](O)CC)c(C)n1.
What is the InChIKey of (1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol?
The InChIKey is DEDAPRSRIOATLL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-8-13-12-7-6-10(9(3)14-12)11(15)5-2/h6-7,11,15H,4-5,8H2,1-3H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol?
(1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-methyl-6-(propylamino)-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 124502320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).