5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine

C11H15F3N2 — CID 115516744

IUPAC5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
SMILESCc1cccc(C(N)CCCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2/c1-8-4-2-6-10(16-8)9(15)5-3-7-11(12,13)14/h2,4,6,9H,3,5,7,15H2,1H3
InChIKeyRTSOABRPRSIZLQ-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.12
Rot. Bonds4

About 5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine

5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine (PubChem CID 115516744) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
PubChem CID115516744
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
SMILESCc1cccc(C(N)CCCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2/c1-8-4-2-6-10(16-8)9(15)5-3-7-11(12,13)14/h2,4,6,9H,3,5,7,15H2,1H3
InChIKeyRTSOABRPRSIZLQ-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine
CID 171230275
(1R)-1-(6-methyl-2-pyridinyl)pentan-1-amine;hydrochloride
CID 171210683
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282
(1R)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine;hydrochloride
CID 171210678
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 64566820
(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 99737673
(3R)-3-amino-2,2-difluoro-3-(6-methyl-2-pyridinyl)propan-1-ol
CID 130697431
1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024239
(1R)-3-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 96644382

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine (CID 115516744) is 5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine is Cc1cccc(C(N)CCCC(F)(F)F)n1.
What is the InChIKey of 5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine?
The InChIKey is RTSOABRPRSIZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-8-4-2-6-10(16-8)9(15)5-3-7-11(12,13)14/h2,4,6,9H,3,5,7,15H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine?
5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine has a molecular weight of 232.25 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine is sourced from PubChem (CID 115516744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).