4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide

C14H23F3N2O2 — CID 115439122

IUPAC4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NC2CCCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-2-1-3-11(8-10)19-12(20)13(9-18)4-6-21-7-5-13/h10-11H,1-9,18H2,(H,19,20)
InChIKeyCHJOEWUDQNPMHU-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.98
Rot. Bonds3

About 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide

4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide (PubChem CID 115439122) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide
PubChem CID115439122
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NC2CCCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-2-1-3-11(8-10)19-12(20)13(9-18)4-6-21-7-5-13/h10-11H,1-9,18H2,(H,19,20)
InChIKeyCHJOEWUDQNPMHU-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide (CID 115439122) is 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide is NCC1(C(=O)NC2CCCC(C(F)(F)F)C2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide?
The InChIKey is CHJOEWUDQNPMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)10-2-1-3-11(8-10)19-12(20)13(9-18)4-6-21-7-5-13/h10-11H,1-9,18H2,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide is sourced from PubChem (CID 115439122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).