3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine

C12H21N3O — CID 116720111

IUPAC3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine
SMILESCNC(c1cnccc1N)C(OC)C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)12(16-4)11(14-3)9-7-15-6-5-10(9)13/h5-8,11-12,14H,1-4H3,(H2,13,15)
InChIKeyCMVUYBVXURTEAX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.60
Rot. Bonds5

About 3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine

3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine (PubChem CID 116720111) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine
PubChem CID116720111
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine
SMILESCNC(c1cnccc1N)C(OC)C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)12(16-4)11(14-3)9-7-15-6-5-10(9)13/h5-8,11-12,14H,1-4H3,(H2,13,15)
InChIKeyCMVUYBVXURTEAX-UHFFFAOYSA-N
XLogP1.60
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine
CID 116724573
3-(1-chloro-2-methylpropyl)pyridin-4-amine
CID 130480173
3-(1-hydrazinylethyl)pyridin-4-amine
CID 105201253
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine
CID 116760962
2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol
CID 116711939
3-[1-(methylamino)but-3-enyl]pyridin-4-amine
CID 116660648
3-(2-cyclohexyl-1-hydrazinyl-2-methoxyethyl)pyridin-4-amine
CID 105278630
2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
CID 103143806
4-[(1S)-1-(methylamino)ethyl]pyridin-3-amine
CID 130680311
3-[2-methoxy-2-phenyl-1-(propylamino)ethyl]pyridin-4-amine
CID 116773275
3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine
CID 113391490
1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720684

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine?
The IUPAC name of 3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine (CID 116720111) is 3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine?
The canonical SMILES for 3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine is CNC(c1cnccc1N)C(OC)C(C)C.
What is the InChIKey of 3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine?
The InChIKey is CMVUYBVXURTEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)12(16-4)11(14-3)9-7-15-6-5-10(9)13/h5-8,11-12,14H,1-4H3,(H2,13,15).
What are the key properties of 3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine?
3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine is sourced from PubChem (CID 116720111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).