N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine

C13H17F3N2O — CID 103742782

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCOC1CC(Nc2ncccc2C(F)(F)F)C1(C)C
InChIInChI=1S/C13H17F3N2O/c1-12(2)9(7-10(12)19-3)18-11-8(13(14,15)16)5-4-6-17-11/h4-6,9-10H,7H2,1-3H3,(H,17,18)
InChIKeyYNDGOJWDNMIVKX-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.33
Rot. Bonds3

About N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine

N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 103742782) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID103742782
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCOC1CC(Nc2ncccc2C(F)(F)F)C1(C)C
InChIInChI=1S/C13H17F3N2O/c1-12(2)9(7-10(12)19-3)18-11-8(13(14,15)16)5-4-6-17-11/h4-6,9-10H,7H2,1-3H3,(H,17,18)
InChIKeyYNDGOJWDNMIVKX-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine (CID 103742782) is N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine is COC1CC(Nc2ncccc2C(F)(F)F)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YNDGOJWDNMIVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-12(2)9(7-10(12)19-3)18-11-8(13(14,15)16)5-4-6-17-11/h4-6,9-10H,7H2,1-3H3,(H,17,18).
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine?
N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 274.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103742782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).