3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

C13H18F3N3O — CID 79869664

IUPAC3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(CC1CCCO1)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C13H18F3N3O/c1-19(8-10-3-2-6-20-10)12-9(7-17)4-5-11(18-12)13(14,15)16/h4-5,10H,2-3,6-8,17H2,1H3
InChIKeyZMRJBMYDSQHPJM-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.17
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 79869664) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID79869664
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(CC1CCCO1)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C13H18F3N3O/c1-19(8-10-3-2-6-20-10)12-9(7-17)4-5-11(18-12)13(14,15)16/h4-5,10H,2-3,6-8,17H2,1H3
InChIKeyZMRJBMYDSQHPJM-UHFFFAOYSA-N
XLogP2.17
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 79869664) is 3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is CN(CC1CCCO1)c1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZMRJBMYDSQHPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19(8-10-3-2-6-20-10)12-9(7-17)4-5-11(18-12)13(14,15)16/h4-5,10H,2-3,6-8,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 289.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 79869664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).