2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide

C14H25F3N2O — CID 116535495

IUPAC2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide
SMILESCC(CCCC(F)(F)F)(NC1CCCCCC1)C(N)=O
InChIInChI=1S/C14H25F3N2O/c1-13(12(18)20,9-6-10-14(15,16)17)19-11-7-4-2-3-5-8-11/h11,19H,2-10H2,1H3,(H2,18,20)
InChIKeyNSIFTBCTBXRUEA-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.28
Rot. Bonds6

About 2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide

2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide (PubChem CID 116535495) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide
PubChem CID116535495
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide
SMILESCC(CCCC(F)(F)F)(NC1CCCCCC1)C(N)=O
InChIInChI=1S/C14H25F3N2O/c1-13(12(18)20,9-6-10-14(15,16)17)19-11-7-4-2-3-5-8-11/h11,19H,2-10H2,1H3,(H2,18,20)
InChIKeyNSIFTBCTBXRUEA-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-2-methylnonanamide
CID 60998647
2-(cyclopentylamino)-4-(4-hydroxyphenyl)-2-methylbutanamide
CID 61001363
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide
CID 116535472
2-(cyclopentylamino)-4-methoxy-2,4-dimethylpentanamide
CID 54894509
2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide
CID 66178852
2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide
CID 102722876
2-(cyclopropylamino)-2-methyl-6-(2-propoxyethoxy)hexanamide
CID 63685314
2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide
CID 63660311
2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide
CID 62122902
2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide
CID 66224091
2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide
CID 106666776
2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide
CID 79326236

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide?
The IUPAC name of 2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide (CID 116535495) is 2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide.
What is the SMILES notation for 2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide?
The canonical SMILES for 2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide is CC(CCCC(F)(F)F)(NC1CCCCCC1)C(N)=O.
What is the InChIKey of 2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide?
The InChIKey is NSIFTBCTBXRUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-13(12(18)20,9-6-10-14(15,16)17)19-11-7-4-2-3-5-8-11/h11,19H,2-10H2,1H3,(H2,18,20).
What are the key properties of 2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide?
2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide has a molecular weight of 294.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide is sourced from PubChem (CID 116535495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).