3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine

C15H24F3N3 — CID 79873820

IUPAC3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCN(c1nc(C(F)(F)F)ccc1CN)C(C)C
InChIInChI=1S/C15H24F3N3/c1-4-5-6-9-21(11(2)3)14-12(10-19)7-8-13(20-14)15(16,17)18/h7-8,11H,4-6,9-10,19H2,1-3H3
InChIKeyRHAWROUAFUWRLR-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.96
Rot. Bonds7

About 3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine

3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 79873820) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID79873820
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCN(c1nc(C(F)(F)F)ccc1CN)C(C)C
InChIInChI=1S/C15H24F3N3/c1-4-5-6-9-21(11(2)3)14-12(10-19)7-8-13(20-14)15(16,17)18/h7-8,11H,4-6,9-10,19H2,1-3H3
InChIKeyRHAWROUAFUWRLR-UHFFFAOYSA-N
XLogP3.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine (CID 79873820) is 3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine is CCCCCN(c1nc(C(F)(F)F)ccc1CN)C(C)C.
What is the InChIKey of 3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RHAWROUAFUWRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-4-5-6-9-21(11(2)3)14-12(10-19)7-8-13(20-14)15(16,17)18/h7-8,11H,4-6,9-10,19H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine?
3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 303.37 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 79873820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).