(1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine

C10H16N2O — CID 55277607

IUPAC(1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine
SMILESCC[C@@H](N)c1cnc(OC)cc1C
InChIInChI=1S/C10H16N2O/c1-4-9(11)8-6-12-10(13-3)5-7(8)2/h5-6,9H,4,11H2,1-3H3/t9-/m1/s1
InChIKeyKSFLGXRGHPFFEJ-SECBINFHSA-N
MW180.25 g/mol
LogP1.81
Rot. Bonds3

About (1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine

(1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine (PubChem CID 55277607) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine
PubChem CID55277607
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine
SMILESCC[C@@H](N)c1cnc(OC)cc1C
InChIInChI=1S/C10H16N2O/c1-4-9(11)8-6-12-10(13-3)5-7(8)2/h5-6,9H,4,11H2,1-3H3/t9-/m1/s1
InChIKeyKSFLGXRGHPFFEJ-SECBINFHSA-N
XLogP1.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of (1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine (CID 55277607) is (1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine is CC[C@@H](N)c1cnc(OC)cc1C.
What is the InChIKey of (1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is KSFLGXRGHPFFEJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9(11)8-6-12-10(13-3)5-7(8)2/h5-6,9H,4,11H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine?
(1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 55277607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).