N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine

C12H20N2O — CID 115922894

IUPACN-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine
SMILESCOc1ccnc(NC(C)C(C)(C)C)c1
InChIInChI=1S/C12H20N2O/c1-9(12(2,3)4)14-11-8-10(15-5)6-7-13-11/h6-9H,1-5H3,(H,13,14)
InChIKeyKNDMUNQTRJXSEQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.94
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine

N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine (PubChem CID 115922894) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine
PubChem CID115922894
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine
SMILESCOc1ccnc(NC(C)C(C)(C)C)c1
InChIInChI=1S/C12H20N2O/c1-9(12(2,3)4)14-11-8-10(15-5)6-7-13-11/h6-9H,1-5H3,(H,13,14)
InChIKeyKNDMUNQTRJXSEQ-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[1-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 115922887
N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 12857633
N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 112704501
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methoxyaniline
CID 143680816
4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine
CID 104830614
N-(4-methoxy-2-pyridinyl)-methylboronamidic acid
CID 58334975
4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine
CID 104830588
N-benzyl-4-methoxypyridin-2-amine
CID 82674350
4-methoxy-2-(2-phenylpropan-2-yl)pyridine
CID 132599217
2-[5-[(4-methoxy-2-pyridinyl)amino]-2-pyridinyl]propan-2-ol
CID 170372213
tert-butyl N-(4-acetyl-2-pyridinyl)carbamate;tert-butyl N-(4-methoxy-2-pyridinyl)carbamate
CID 158085434
4-methoxy-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 115922912

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine (CID 115922894) is N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine is COc1ccnc(NC(C)C(C)(C)C)c1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine?
The InChIKey is KNDMUNQTRJXSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(12(2,3)4)14-11-8-10(15-5)6-7-13-11/h6-9H,1-5H3,(H,13,14).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine?
N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine has a molecular weight of 208.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine is sourced from PubChem (CID 115922894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).