2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine

C13H26F3N — CID 155198946

IUPAC2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
SMILESCCCCC(C)(CN[C@H](C)C(F)(F)F)C(C)C
InChIInChI=1S/C13H26F3N/c1-6-7-8-12(5,10(2)3)9-17-11(4)13(14,15)16/h10-11,17H,6-9H2,1-5H3/t11-,12?/m1/s1
InChIKeyQPNPAAIVCHTCSK-JHJMLUEUSA-N
MW253.35 g/mol
LogP4.38
Rot. Bonds7

About 2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine

2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine (PubChem CID 155198946) has the molecular formula C13H26F3N and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
PubChem CID155198946
Molecular FormulaC13H26F3N
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC Name2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
SMILESCCCCC(C)(CN[C@H](C)C(F)(F)F)C(C)C
InChIInChI=1S/C13H26F3N/c1-6-7-8-12(5,10(2)3)9-17-11(4)13(14,15)16/h10-11,17H,6-9H2,1-5H3/t11-,12?/m1/s1
InChIKeyQPNPAAIVCHTCSK-JHJMLUEUSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
The IUPAC name of 2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine (CID 155198946) is 2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine.
What is the SMILES notation for 2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
The canonical SMILES for 2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine is CCCCC(C)(CN[C@H](C)C(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
The InChIKey is QPNPAAIVCHTCSK-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H26F3N/c1-6-7-8-12(5,10(2)3)9-17-11(4)13(14,15)16/h10-11,17H,6-9H2,1-5H3/t11-,12?/m1/s1.
What are the key properties of 2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine?
2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine is sourced from PubChem (CID 155198946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).