4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide

C14H23F3N2O — CID 106213196

IUPAC4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NC2(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C14H23F3N2O/c1-8-10(18)5-4-9(12(8,2)3)11(20)19-13(6-7-13)14(15,16)17/h8-10H,4-7,18H2,1-3H3,(H,19,20)
InChIKeySJWAOLGDCKAMED-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.60
Rot. Bonds2

About 4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide (PubChem CID 106213196) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide
PubChem CID106213196
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NC2(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C14H23F3N2O/c1-8-10(18)5-4-9(12(8,2)3)11(20)19-13(6-7-13)14(15,16)17/h8-10H,4-7,18H2,1-3H3,(H,19,20)
InChIKeySJWAOLGDCKAMED-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide (CID 106213196) is 4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NC2(C(F)(F)F)CC2)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide?
The InChIKey is SJWAOLGDCKAMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-8-10(18)5-4-9(12(8,2)3)11(20)19-13(6-7-13)14(15,16)17/h8-10H,4-7,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106213196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).