5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C12H16F3N3 — CID 80630541

IUPAC5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCc1cc(CN)cnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H16F3N3/c1-8-4-9(5-16)6-17-11(8)18(10-2-3-10)7-12(13,14)15/h4,6,10H,2-3,5,7,16H2,1H3
InChIKeyXEUDYEQYTUPEML-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.38
Rot. Bonds4

About 5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 80630541) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID80630541
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCc1cc(CN)cnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H16F3N3/c1-8-4-9(5-16)6-17-11(8)18(10-2-3-10)7-12(13,14)15/h4,6,10H,2-3,5,7,16H2,1H3
InChIKeyXEUDYEQYTUPEML-UHFFFAOYSA-N
XLogP2.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 80630541) is 5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is Cc1cc(CN)cnc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is XEUDYEQYTUPEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-8-4-9(5-16)6-17-11(8)18(10-2-3-10)7-12(13,14)15/h4,6,10H,2-3,5,7,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 259.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 80630541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).