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

C14H20F3N3O — CID 79873577

IUPAC3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C14H20F3N3O/c1-2-20(9-11-4-3-7-21-11)13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,11H,2-4,7-9,18H2,1H3
InChIKeyRFIARJLYFUXVNU-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.56
Rot. Bonds5

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

3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 79873577) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID79873577
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C14H20F3N3O/c1-2-20(9-11-4-3-7-21-11)13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,11H,2-4,7-9,18H2,1H3
InChIKeyRFIARJLYFUXVNU-UHFFFAOYSA-N
XLogP2.56
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 79873577) is 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is CCN(CC1CCCO1)c1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RFIARJLYFUXVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-20(9-11-4-3-7-21-11)13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,11H,2-4,7-9,18H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 79873577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).