N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C14H20F3N3 — CID 61208136

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N1CCC(CNc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C14H20F3N3/c1-10(2)20-6-5-11(9-20)7-18-13-4-3-12(8-19-13)14(15,16)17/h3-4,8,10-11H,5-7,9H2,1-2H3,(H,18,19)
InChIKeyLRBXUHDSLFPWJY-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.24
Rot. Bonds4

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 61208136) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID61208136
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N1CCC(CNc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C14H20F3N3/c1-10(2)20-6-5-11(9-20)7-18-13-4-3-12(8-19-13)14(15,16)17/h3-4,8,10-11H,5-7,9H2,1-2H3,(H,18,19)
InChIKeyLRBXUHDSLFPWJY-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 61208136) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is CC(C)N1CCC(CNc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LRBXUHDSLFPWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-10(2)20-6-5-11(9-20)7-18-13-4-3-12(8-19-13)14(15,16)17/h3-4,8,10-11H,5-7,9H2,1-2H3,(H,18,19).
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 61208136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).