N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C13H18F3N3 — CID 66329841

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN1CCC(CNc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C13H18F3N3/c1-2-19-6-4-10(9-19)8-18-12-7-11(3-5-17-12)13(14,15)16/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,17,18)
InChIKeyLACPFORJBUGJLK-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.85
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66329841) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66329841
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN1CCC(CNc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C13H18F3N3/c1-2-19-6-4-10(9-19)8-18-12-7-11(3-5-17-12)13(14,15)16/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,17,18)
InChIKeyLACPFORJBUGJLK-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 66329841) is N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is CCN1CCC(CNc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LACPFORJBUGJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-2-19-6-4-10(9-19)8-18-12-7-11(3-5-17-12)13(14,15)16/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,17,18).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66329841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).