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

C14H26F3N — CID 153298277

IUPAC(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine
SMILESCC(C)[C@H](N(CC1CC1)[C@@H](C)C(C)C)C(F)(F)F
InChIInChI=1S/C14H26F3N/c1-9(2)11(5)18(8-12-6-7-12)13(10(3)4)14(15,16)17/h9-13H,6-8H2,1-5H3/t11-,13-/m0/s1
InChIKeyXBBKYTFEOGCZFT-AAEUAGOBSA-N
MW265.36 g/mol
LogP4.33
Rot. Bonds6

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

(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine (PubChem CID 153298277) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine
PubChem CID153298277
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine
SMILESCC(C)[C@H](N(CC1CC1)[C@@H](C)C(C)C)C(F)(F)F
InChIInChI=1S/C14H26F3N/c1-9(2)11(5)18(8-12-6-7-12)13(10(3)4)14(15,16)17/h9-13H,6-8H2,1-5H3/t11-,13-/m0/s1
InChIKeyXBBKYTFEOGCZFT-AAEUAGOBSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.33
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-[(2S)-3-methylbutan-2-yl]butan-2-amine?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine (CID 153298277) is (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine is CC(C)[C@H](N(CC1CC1)[C@@H](C)C(C)C)C(F)(F)F.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine?
The InChIKey is XBBKYTFEOGCZFT-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H26F3N/c1-9(2)11(5)18(8-12-6-7-12)13(10(3)4)14(15,16)17/h9-13H,6-8H2,1-5H3/t11-,13-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine?
(2S)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine has a molecular weight of 265.36 g/mol, XLogP of 4.33, 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-[(2S)-3-methylbutan-2-yl]butan-2-amine is sourced from PubChem (CID 153298277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).