3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide

C12H21F3N2O — CID 106213349

IUPAC3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
SMILESCC(C)(C)CC(N)CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-10(2,3)7-8(16)6-9(18)17-11(4-5-11)12(13,14)15/h8H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyDVECLACDXXJOCU-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.35
Rot. Bonds4

About 3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide

3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide (PubChem CID 106213349) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
PubChem CID106213349
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
SMILESCC(C)(C)CC(N)CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-10(2,3)7-8(16)6-9(18)17-11(4-5-11)12(13,14)15/h8H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyDVECLACDXXJOCU-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide
CID 58331629
3-amino-N-cyclopropyl-2,2-difluorohexanamide
CID 70313284
3-[[(2R)-butan-2-yl]amino]-N-cyclopropyl-2,2-difluorohexanamide
CID 71068354
2-(aminomethyl)-N-cyclopropyl-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 61846536
6-amino-N-(1-cyclopropylethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 65290581
6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 65291497
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 81975804
3-amino-N,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 81984925
3-amino-N,4,4-trimethyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 81984992
3-amino-N-(1-cyclopropylethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 81985523
3-amino-4,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 81985695
3-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 81985753

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide?
The IUPAC name of 3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide (CID 106213349) is 3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide.
What is the SMILES notation for 3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide?
The canonical SMILES for 3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide is CC(C)(C)CC(N)CC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide?
The InChIKey is DVECLACDXXJOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-10(2,3)7-8(16)6-9(18)17-11(4-5-11)12(13,14)15/h8H,4-7,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide?
3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide has a molecular weight of 266.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide is sourced from PubChem (CID 106213349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).