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

C15H26ClF3N2O2 — CID 120933070

IUPAC4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCC2CCCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C15H25F3N2O2.ClH/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);1H
InChIKeyRQNAOPXOFSEQJZ-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.65
Rot. Bonds4

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

4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120933070) has the molecular formula C15H26ClF3N2O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
PubChem CID120933070
Molecular FormulaC15H26ClF3N2O2
Molecular Weight358.83 g/mol
Exact Mass358.16
IUPAC Name4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCC2CCCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C15H25F3N2O2.ClH/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);1H
InChIKeyRQNAOPXOFSEQJZ-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride (CID 120933070) is 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is RQNAOPXOFSEQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2.ClH/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);1H.
What are the key properties of 4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 358.83 g/mol, XLogP of 2.65, 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;hydrochloride is sourced from PubChem (CID 120933070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).