(2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride

C9H16Cl2N2O — CID 69278478

IUPAC(2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride
SMILESCOc1nc(C)cc(C)c1CN.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-6-4-7(2)11-9(12-3)8(6)5-10;;/h4H,5,10H2,1-3H3;2*1H
InChIKeyMWJOQOGXWJWTMI-UHFFFAOYSA-N
MW239.15 g/mol
LogP2.01
Rot. Bonds2

About (2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride

(2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride (PubChem CID 69278478) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is (2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride
PubChem CID69278478
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name(2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride
SMILESCOc1nc(C)cc(C)c1CN.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-6-4-7(2)11-9(12-3)8(6)5-10;;/h4H,5,10H2,1-3H3;2*1H
InChIKeyMWJOQOGXWJWTMI-UHFFFAOYSA-N
XLogP2.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride (CID 69278478) is (2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride is COc1nc(C)cc(C)c1CN.Cl.Cl.
What is the InChIKey of (2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride?
The InChIKey is MWJOQOGXWJWTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2ClH/c1-6-4-7(2)11-9(12-3)8(6)5-10;;/h4H,5,10H2,1-3H3;2*1H.
What are the key properties of (2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride?
(2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,6-dimethyl-3-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 69278478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).