3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine

C13H22N2O — CID 103027120

IUPAC3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine
SMILESCNC(CC(C)(C)OC)c1ccc(C)nc1
InChIInChI=1S/C13H22N2O/c1-10-6-7-11(9-15-10)12(14-4)8-13(2,3)16-5/h6-7,9,12,14H,8H2,1-5H3
InChIKeyPWZSWWAERJDCON-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.47
Rot. Bonds5

About 3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine

3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine (PubChem CID 103027120) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine
PubChem CID103027120
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine
SMILESCNC(CC(C)(C)OC)c1ccc(C)nc1
InChIInChI=1S/C13H22N2O/c1-10-6-7-11(9-15-10)12(14-4)8-13(2,3)16-5/h6-7,9,12,14H,8H2,1-5H3
InChIKeyPWZSWWAERJDCON-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
CID 103025012
N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215250
3-(2-methoxyethoxy)-N-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 102928103
N-methyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155924
2-methoxy-N-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 79617046
N-methyl-1-(6-methyl-3-pyridinyl)nonan-1-amine
CID 115854494
2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155527
2-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 79197654
2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 115854887
N-methyl-1-(6-methyl-3-pyridinyl)hex-5-en-1-amine
CID 105153170
N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 105187738
2-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 79198511

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine (CID 103027120) is 3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine is CNC(CC(C)(C)OC)c1ccc(C)nc1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
The InChIKey is PWZSWWAERJDCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-6-7-11(9-15-10)12(14-4)8-13(2,3)16-5/h6-7,9,12,14H,8H2,1-5H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 103027120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).