(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine

C13H24F3N — CID 153298442

IUPAC(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine
SMILESCC(C)CN(CC1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-9(2)7-17(8-11-5-6-11)12(10(3)4)13(14,15)16/h9-12H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyBHUCPYLQWDFJIV-LBPRGKRZSA-N
MW251.34 g/mol
LogP3.94
Rot. Bonds6

About (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine

(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine (PubChem CID 153298442) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine
PubChem CID153298442
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine
SMILESCC(C)CN(CC1CC1)[C@@H](C(C)C)C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-9(2)7-17(8-11-5-6-11)12(10(3)4)13(14,15)16/h9-12H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyBHUCPYLQWDFJIV-LBPRGKRZSA-N
XLogP3.94
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 ≤ 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-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine (CID 153298442) is (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine is CC(C)CN(CC1CC1)[C@@H](C(C)C)C(F)(F)F.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine?
The InChIKey is BHUCPYLQWDFJIV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24F3N/c1-9(2)7-17(8-11-5-6-11)12(10(3)4)13(14,15)16/h9-12H,5-8H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine?
(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-(2-methylpropyl)butan-2-amine is sourced from PubChem (CID 153298442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).