1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine

C12H20N2O — CID 115698925

IUPAC1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
SMILESCOCC(C)(C)NCc1ccc(C)cn1
InChIInChI=1S/C12H20N2O/c1-10-5-6-11(13-7-10)8-14-12(2,3)9-15-4/h5-7,14H,8-9H2,1-4H3
InChIKeyBDEJSBNFLKVXQV-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.90
Rot. Bonds5

About 1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine

1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine (PubChem CID 115698925) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
PubChem CID115698925
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
SMILESCOCC(C)(C)NCc1ccc(C)cn1
InChIInChI=1S/C12H20N2O/c1-10-5-6-11(13-7-10)8-14-12(2,3)9-15-4/h5-7,14H,8-9H2,1-4H3
InChIKeyBDEJSBNFLKVXQV-UHFFFAOYSA-N
XLogP1.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine (CID 115698925) is 1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine is COCC(C)(C)NCc1ccc(C)cn1.
What is the InChIKey of 1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is BDEJSBNFLKVXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-5-6-11(13-7-10)8-14-12(2,3)9-15-4/h5-7,14H,8-9H2,1-4H3.
What are the key properties of 1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine?
1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 115698925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).