5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine

C13H26F3N — CID 116534085

IUPAC5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
SMILESCC(C)CCC(C)NC(C)CCCC(F)(F)F
InChIInChI=1S/C13H26F3N/c1-10(2)7-8-12(4)17-11(3)6-5-9-13(14,15)16/h10-12,17H,5-9H2,1-4H3
InChIKeyZNDWBRSYCMOXEM-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.52
Rot. Bonds8

About 5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine

5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine (PubChem CID 116534085) has the molecular formula C13H26F3N and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
PubChem CID116534085
Molecular FormulaC13H26F3N
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC Name5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
SMILESCC(C)CCC(C)NC(C)CCCC(F)(F)F
InChIInChI=1S/C13H26F3N/c1-10(2)7-8-12(4)17-11(3)6-5-9-13(14,15)16/h10-12,17H,5-9H2,1-4H3
InChIKeyZNDWBRSYCMOXEM-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
3-(5-methylhexan-2-ylamino)butan-1-ol
CID 81338703
N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine
CID 116534583
tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate
CID 107248523
N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide
CID 116534471
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one
CID 116534604
1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane
CID 162503458
6,6,6-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]hexan-2-amine
CID 116534707

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine?
The IUPAC name of 5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine (CID 116534085) is 5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine is CC(C)CCC(C)NC(C)CCCC(F)(F)F.
What is the InChIKey of 5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine?
The InChIKey is ZNDWBRSYCMOXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N/c1-10(2)7-8-12(4)17-11(3)6-5-9-13(14,15)16/h10-12,17H,5-9H2,1-4H3.
What are the key properties of 5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine?
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine is sourced from PubChem (CID 116534085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).