(2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine

C13H26F3N — CID 149086878

IUPAC(2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine
SMILESCC[C@@H](N(C)[C@H](C)CCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H26F3N/c1-7-11(13(14,15)16)17(6)10(2)8-9-12(3,4)5/h10-11H,7-9H2,1-6H3/t10-,11-/m1/s1
InChIKeyQRKOBHUAJOYHGT-GHMZBOCLSA-N
MW253.35 g/mol
LogP4.47
Rot. Bonds5

About (2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine

(2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine (PubChem CID 149086878) has the molecular formula C13H26F3N and a molecular weight of 253.35 g/mol. Its IUPAC name is (2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine.

Molecular Properties

Compound Name(2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine
PubChem CID149086878
Molecular FormulaC13H26F3N
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC Name(2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine
SMILESCC[C@@H](N(C)[C@H](C)CCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H26F3N/c1-7-11(13(14,15)16)17(6)10(2)8-9-12(3,4)5/h10-11H,7-9H2,1-6H3/t10-,11-/m1/s1
InChIKeyQRKOBHUAJOYHGT-GHMZBOCLSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine?
The IUPAC name of (2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine (CID 149086878) is (2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine.
What is the SMILES notation for (2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine?
The canonical SMILES for (2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine is CC[C@@H](N(C)[C@H](C)CCC(C)(C)C)C(F)(F)F.
What is the InChIKey of (2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine?
The InChIKey is QRKOBHUAJOYHGT-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H26F3N/c1-7-11(13(14,15)16)17(6)10(2)8-9-12(3,4)5/h10-11H,7-9H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of (2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine?
(2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,5,5-trimethyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]hexan-2-amine is sourced from PubChem (CID 149086878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).