1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine

C10H16N2O — CID 55294033

IUPAC1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1cccc(C(N)C(C)C)n1
InChIInChI=1S/C10H16N2O/c1-7(2)10(11)8-5-4-6-9(12-8)13-3/h4-7,10H,11H2,1-3H3
InChIKeyHNLVCMISMOJDQK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.75
Rot. Bonds3

About 1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine

1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine (PubChem CID 55294033) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine
PubChem CID55294033
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1cccc(C(N)C(C)C)n1
InChIInChI=1S/C10H16N2O/c1-7(2)10(11)8-5-4-6-9(12-8)13-3/h4-7,10H,11H2,1-3H3
InChIKeyHNLVCMISMOJDQK-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine (CID 55294033) is 1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine is COc1cccc(C(N)C(C)C)n1.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is HNLVCMISMOJDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)10(11)8-5-4-6-9(12-8)13-3/h4-7,10H,11H2,1-3H3.
What are the key properties of 1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine?
1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 55294033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).