3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide

C14H21F3N2O — CID 70897200

IUPAC3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide
SMILESNC1C=C(C(=O)NC2CCC(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)10-4-6-12(7-5-10)19-13(20)9-2-1-3-11(18)8-9/h8,10-12H,1-7,18H2,(H,19,20)
InChIKeyYLNKMTAGXFONHQ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.66
Rot. Bonds2

About 3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide

3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide (PubChem CID 70897200) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide
PubChem CID70897200
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide
SMILESNC1C=C(C(=O)NC2CCC(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)10-4-6-12(7-5-10)19-13(20)9-2-1-3-11(18)8-9/h8,10-12H,1-7,18H2,(H,19,20)
InChIKeyYLNKMTAGXFONHQ-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide (CID 70897200) is 3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide is NC1C=C(C(=O)NC2CCC(C(F)(F)F)CC2)CCC1.
What is the InChIKey of 3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide?
The InChIKey is YLNKMTAGXFONHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c15-14(16,17)10-4-6-12(7-5-10)19-13(20)9-2-1-3-11(18)8-9/h8,10-12H,1-7,18H2,(H,19,20).
What are the key properties of 3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide?
3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 70897200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).