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

C15H25F3N2O2 — CID 120933071

IUPAC4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2CCCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)12-3-1-2-11(8-12)9-20-13(21)14(10-19)4-6-22-7-5-14/h11-12H,1-10,19H2,(H,20,21)
InChIKeyZSEKVZFQLGQWCQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.23
Rot. Bonds4

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

4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide (PubChem CID 120933071) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide
PubChem CID120933071
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2CCCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)12-3-1-2-11(8-12)9-20-13(21)14(10-19)4-6-22-7-5-14/h11-12H,1-10,19H2,(H,20,21)
InChIKeyZSEKVZFQLGQWCQ-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.23
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]methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide (CID 120933071) is 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide is NCC1(C(=O)NCC2CCCC(C(F)(F)F)C2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide?
The InChIKey is ZSEKVZFQLGQWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c16-15(17,18)12-3-1-2-11(8-12)9-20-13(21)14(10-19)4-6-22-7-5-14/h11-12H,1-10,19H2,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.23, 4 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]methyl]oxane-4-carboxamide is sourced from PubChem (CID 120933071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).