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

C12H24F3N — CID 153298605

IUPAC(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCC(C)C[C@H](C)N(C)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C12H24F3N/c1-8(2)7-10(5)16(6)11(9(3)4)12(13,14)15/h8-11H,7H2,1-6H3/t10-,11-/m0/s1
InChIKeyKIWVDZZOBXNKHT-QWRGUYRKSA-N
MW239.32 g/mol
LogP3.94
Rot. Bonds5

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

(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (PubChem CID 153298605) has the molecular formula C12H24F3N and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
PubChem CID153298605
Molecular FormulaC12H24F3N
Molecular Weight239.32 g/mol
Exact Mass239.19
IUPAC Name(2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
SMILESCC(C)C[C@H](C)N(C)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C12H24F3N/c1-8(2)7-10(5)16(6)11(9(3)4)12(13,14)15/h8-11H,7H2,1-6H3/t10-,11-/m0/s1
InChIKeyKIWVDZZOBXNKHT-QWRGUYRKSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The IUPAC name of (2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine (CID 153298605) is (2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine.
What is the SMILES notation for (2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The canonical SMILES for (2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is CC(C)C[C@H](C)N(C)[C@@H](C(C)C)C(F)(F)F.
What is the InChIKey of (2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
The InChIKey is KIWVDZZOBXNKHT-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24F3N/c1-8(2)7-10(5)16(6)11(9(3)4)12(13,14)15/h8-11H,7H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of (2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine?
(2S)-N,4-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 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine is sourced from PubChem (CID 153298605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).