N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine

C12H24F3N — CID 156566524

IUPACN,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCCCC(C)(C)N(C)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C12H24F3N/c1-7-8-11(4,5)16(6)10(9(2)3)12(13,14)15/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyNOJZOAUJBCUHNK-JTQLQIEISA-N
MW239.32 g/mol
LogP4.08
Rot. Bonds5

About N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine

N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (PubChem CID 156566524) has the molecular formula C12H24F3N and a molecular weight of 239.32 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
PubChem CID156566524
Molecular FormulaC12H24F3N
Molecular Weight239.32 g/mol
Exact Mass239.19
IUPAC NameN,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCCCC(C)(C)N(C)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C12H24F3N/c1-7-8-11(4,5)16(6)10(9(2)3)12(13,14)15/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyNOJZOAUJBCUHNK-JTQLQIEISA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The IUPAC name of N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (CID 156566524) is N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is CCCC(C)(C)N(C)[C@@H](C(C)C)C(F)(F)F.
What is the InChIKey of N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The InChIKey is NOJZOAUJBCUHNK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24F3N/c1-7-8-11(4,5)16(6)10(9(2)3)12(13,14)15/h9-10H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is sourced from PubChem (CID 156566524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).