N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine

C13H20N2O — CID 114547998

IUPACN-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine
SMILESCOc1cc(NC2CCC(C)(C)C2)ccn1
InChIInChI=1S/C13H20N2O/c1-13(2)6-4-11(9-13)15-10-5-7-14-12(8-10)16-3/h5,7-8,11H,4,6,9H2,1-3H3,(H,14,15)
InChIKeyAUTSCKRJXORCHX-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.08
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine

N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine (PubChem CID 114547998) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine
PubChem CID114547998
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine
SMILESCOc1cc(NC2CCC(C)(C)C2)ccn1
InChIInChI=1S/C13H20N2O/c1-13(2)6-4-11(9-13)15-10-5-7-14-12(8-10)16-3/h5,7-8,11H,4,6,9H2,1-3H3,(H,14,15)
InChIKeyAUTSCKRJXORCHX-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine (CID 114547998) is N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine is COc1cc(NC2CCC(C)(C)C2)ccn1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine?
The InChIKey is AUTSCKRJXORCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2)6-4-11(9-13)15-10-5-7-14-12(8-10)16-3/h5,7-8,11H,4,6,9H2,1-3H3,(H,14,15).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine?
N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine is sourced from PubChem (CID 114547998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).