N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine

C13H26F3N — CID 153298837

IUPACN,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCC(C)CC(C)(C)N(C)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C13H26F3N/c1-9(2)8-12(5,6)17(7)11(10(3)4)13(14,15)16/h9-11H,8H2,1-7H3/t11-/m0/s1
InChIKeyGQFXTSSCBHIHFJ-NSHDSACASA-N
MW253.35 g/mol
LogP4.33
Rot. Bonds5

About N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine

N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (PubChem CID 153298837) has the molecular formula C13H26F3N and a molecular weight of 253.35 g/mol. Its IUPAC name is N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.

Molecular Properties

Compound NameN,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
PubChem CID153298837
Molecular FormulaC13H26F3N
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC NameN,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCC(C)CC(C)(C)N(C)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C13H26F3N/c1-9(2)8-12(5,6)17(7)11(10(3)4)13(14,15)16/h9-11H,8H2,1-7H3/t11-/m0/s1
InChIKeyGQFXTSSCBHIHFJ-NSHDSACASA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The IUPAC name of N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (CID 153298837) is N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.
What is the SMILES notation for N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The canonical SMILES for N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is CC(C)CC(C)(C)N(C)[C@@H](C(C)C)C(F)(F)F.
What is the InChIKey of N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The InChIKey is GQFXTSSCBHIHFJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H26F3N/c1-9(2)8-12(5,6)17(7)11(10(3)4)13(14,15)16/h9-11H,8H2,1-7H3/t11-/m0/s1.
What are the key properties of N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is sourced from PubChem (CID 153298837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).