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

C13H23N3O — CID 116724573

IUPAC3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine
SMILESCNC(c1cnccc1N)C(OC)C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-13(2,3)12(17-5)11(15-4)9-8-16-7-6-10(9)14/h6-8,11-12,15H,1-5H3,(H2,14,16)
InChIKeyDFRAJIUZYSFMBF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.99
Rot. Bonds4

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

3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine (PubChem CID 116724573) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine
PubChem CID116724573
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine
SMILESCNC(c1cnccc1N)C(OC)C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-13(2,3)12(17-5)11(15-4)9-8-16-7-6-10(9)14/h6-8,11-12,15H,1-5H3,(H2,14,16)
InChIKeyDFRAJIUZYSFMBF-UHFFFAOYSA-N
XLogP1.99
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine
CID 116720111
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine
CID 116760962
3-(1-chloro-2-methylpropyl)pyridin-4-amine
CID 130480173
2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine
CID 116724449
3-[1-(methylamino)but-3-enyl]pyridin-4-amine
CID 116660648
2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
CID 116724571
3-(2-cyclohexyl-1-hydrazinyl-2-methoxyethyl)pyridin-4-amine
CID 105278630
1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol
CID 103449093
3-(1-hydrazinylethyl)pyridin-4-amine
CID 105201253
2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755235
1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724444
3-[2-methoxy-2-phenyl-1-(propylamino)ethyl]pyridin-4-amine
CID 116773275

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine?
The IUPAC name of 3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine (CID 116724573) is 3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine?
The canonical SMILES for 3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine is CNC(c1cnccc1N)C(OC)C(C)(C)C.
What is the InChIKey of 3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine?
The InChIKey is DFRAJIUZYSFMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)12(17-5)11(15-4)9-8-16-7-6-10(9)14/h6-8,11-12,15H,1-5H3,(H2,14,16).
What are the key properties of 3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine?
3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine is sourced from PubChem (CID 116724573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).