3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine

C15H24F3N3 — CID 71503747

IUPAC3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCCN(CCCC)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C15H24F3N3/c1-3-5-9-21(10-6-4-2)14-12(11-19)7-8-13(20-14)15(16,17)18/h7-8H,3-6,9-11,19H2,1-2H3
InChIKeyLWGHVGCVYQKUKP-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.97
Rot. Bonds8

About 3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine

3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 71503747) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID71503747
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCCN(CCCC)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C15H24F3N3/c1-3-5-9-21(10-6-4-2)14-12(11-19)7-8-13(20-14)15(16,17)18/h7-8H,3-6,9-11,19H2,1-2H3
InChIKeyLWGHVGCVYQKUKP-UHFFFAOYSA-N
XLogP3.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine (CID 71503747) is 3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine is CCCCN(CCCC)c1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of 3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LWGHVGCVYQKUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-3-5-9-21(10-6-4-2)14-12(11-19)7-8-13(20-14)15(16,17)18/h7-8H,3-6,9-11,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine?
3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 303.37 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 71503747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).