N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine

C12H17F3N2 — CID 63559822

IUPACN-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine
SMILESCCC(NC)C(C)c1ncccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-4-10(16-3)8(2)11-9(12(13,14)15)6-5-7-17-11/h5-8,10,16H,4H2,1-3H3
InChIKeyHHXANZAMOOCHKY-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.20
Rot. Bonds4

About N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine

N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine (PubChem CID 63559822) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine
PubChem CID63559822
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC NameN-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine
SMILESCCC(NC)C(C)c1ncccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-4-10(16-3)8(2)11-9(12(13,14)15)6-5-7-17-11/h5-8,10,16H,4H2,1-3H3
InChIKeyHHXANZAMOOCHKY-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine (CID 63559822) is N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine is CCC(NC)C(C)c1ncccc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine?
The InChIKey is HHXANZAMOOCHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-4-10(16-3)8(2)11-9(12(13,14)15)6-5-7-17-11/h5-8,10,16H,4H2,1-3H3.
What are the key properties of N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine?
N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine has a molecular weight of 246.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine is sourced from PubChem (CID 63559822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).