N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine

C12H20N2O — CID 103462625

IUPACN-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
SMILESCCC(C)(C)CNc1ccnc(OC)c1
InChIInChI=1S/C12H20N2O/c1-5-12(2,3)9-14-10-6-7-13-11(8-10)15-4/h6-8H,5,9H2,1-4H3,(H,13,14)
InChIKeyCQJQWXOZZHRDOV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.94
Rot. Bonds5

About N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine

N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine (PubChem CID 103462625) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
PubChem CID103462625
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
SMILESCCC(C)(C)CNc1ccnc(OC)c1
InChIInChI=1S/C12H20N2O/c1-5-12(2,3)9-14-10-6-7-13-11(8-10)15-4/h6-8H,5,9H2,1-4H3,(H,13,14)
InChIKeyCQJQWXOZZHRDOV-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
CID 106252050
methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate
CID 114283843
1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
CID 106145654
N-[(1-aminocyclobutyl)methyl]-2-methoxypyridin-4-amine
CID 103354198
N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
CID 107323427
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxypyridin-4-amine
CID 114180523
1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159402
2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
CID 83205251
3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine
CID 106357770
N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine
CID 106177618
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine
CID 106048244
2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81418951

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine (CID 103462625) is N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine is CCC(C)(C)CNc1ccnc(OC)c1.
What is the InChIKey of N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine?
The InChIKey is CQJQWXOZZHRDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-12(2,3)9-14-10-6-7-13-11(8-10)15-4/h6-8H,5,9H2,1-4H3,(H,13,14).
What are the key properties of N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine?
N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine has a molecular weight of 208.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine is sourced from PubChem (CID 103462625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).