1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine

C12H20N2O — CID 105026104

IUPAC1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1cncc(OC)c1
InChIInChI=1S/C12H20N2O/c1-5-12(2,3)11(13)9-6-10(15-4)8-14-7-9/h6-8,11H,5,13H2,1-4H3
InChIKeyMPKQDSPUHAGJHT-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.53
Rot. Bonds4

About 1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine

1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine (PubChem CID 105026104) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
PubChem CID105026104
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1cncc(OC)c1
InChIInChI=1S/C12H20N2O/c1-5-12(2,3)11(13)9-6-10(15-4)8-14-7-9/h6-8,11H,5,13H2,1-4H3
InChIKeyMPKQDSPUHAGJHT-UHFFFAOYSA-N
XLogP2.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine
CID 116758508
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105175275
2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine
CID 116760136
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
CID 116757462
(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116770623
(5-methoxy-3-pyridinyl)-(6-methoxypyrimidin-4-yl)methanol
CID 102950306
2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
CID 116760662
(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171239631

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine (CID 105026104) is 1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)c1cncc(OC)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine?
The InChIKey is MPKQDSPUHAGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-12(2,3)11(13)9-6-10(15-4)8-14-7-9/h6-8,11H,5,13H2,1-4H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine?
1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 105026104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).