N-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine

C12H15F3N2O — CID 103082029

IUPACN-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCOC1CCC(Nc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O/c1-18-9-5-4-8(7-9)17-11-10(12(13,14)15)3-2-6-16-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,16,17)
InChIKeyDWWNGXINIWNYGS-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.08
Rot. Bonds3

About N-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine

N-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 103082029) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID103082029
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCOC1CCC(Nc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O/c1-18-9-5-4-8(7-9)17-11-10(12(13,14)15)3-2-6-16-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,16,17)
InChIKeyDWWNGXINIWNYGS-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
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-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine (CID 103082029) is N-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine is COC1CCC(Nc2ncccc2C(F)(F)F)C1.
What is the InChIKey of N-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DWWNGXINIWNYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-18-9-5-4-8(7-9)17-11-10(12(13,14)15)3-2-6-16-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,16,17).
What are the key properties of N-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine?
N-(3-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 260.26 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-methoxycyclopentyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103082029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).