1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine

C13H22N2O — CID 114698943

IUPAC1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine
SMILESCOCC(NCc1ccncc1C)C(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)13(9-16-4)15-8-12-5-6-14-7-11(12)3/h5-7,10,13,15H,8-9H2,1-4H3
InChIKeyDSMTUYRGKZCXCI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.15
Rot. Bonds6

About 1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine

1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine (PubChem CID 114698943) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine
PubChem CID114698943
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine
SMILESCOCC(NCc1ccncc1C)C(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)13(9-16-4)15-8-12-5-6-14-7-11(12)3/h5-7,10,13,15H,8-9H2,1-4H3
InChIKeyDSMTUYRGKZCXCI-UHFFFAOYSA-N
XLogP2.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(4-chloro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 104854261
1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine
CID 114698935
N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65048786
methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate
CID 114699901
N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114699579
1-methoxy-3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 65049563
5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707313
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-[(3-methyl-4-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 114699058
1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
CID 114698805

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine (CID 114698943) is 1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine is COCC(NCc1ccncc1C)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine?
The InChIKey is DSMTUYRGKZCXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)13(9-16-4)15-8-12-5-6-14-7-11(12)3/h5-7,10,13,15H,8-9H2,1-4H3.
What are the key properties of 1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine?
1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine is sourced from PubChem (CID 114698943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).