(2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine

C13H24F3N — CID 166766959

IUPAC(2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCCC(C)N(CC1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-5-10(4)17(8-11-6-7-11)12(9(2)3)13(14,15)16/h9-12H,5-8H2,1-4H3/t10?,12-/m0/s1
InChIKeyFQXIHMCQVYVUJY-KFJBMODSSA-N
MW251.34 g/mol
LogP4.08
Rot. Bonds6

About (2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine

(2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine (PubChem CID 166766959) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is (2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine
PubChem CID166766959
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name(2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCCC(C)N(CC1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-5-10(4)17(8-11-6-7-11)12(9(2)3)13(14,15)16/h9-12H,5-8H2,1-4H3/t10?,12-/m0/s1
InChIKeyFQXIHMCQVYVUJY-KFJBMODSSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
The IUPAC name of (2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine (CID 166766959) is (2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
The canonical SMILES for (2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine is CCC(C)N(CC1CC1)[C@@H](C(C)C)C(F)(F)F.
What is the InChIKey of (2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
The InChIKey is FQXIHMCQVYVUJY-KFJBMODSSA-N. The full InChI is InChI=1S/C13H24F3N/c1-5-10(4)17(8-11-6-7-11)12(9(2)3)13(14,15)16/h9-12H,5-8H2,1-4H3/t10?,12-/m0/s1.
What are the key properties of (2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
(2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butan-2-yl-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methylbutan-2-amine is sourced from PubChem (CID 166766959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).