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

C14H24ClF3N2O2 — CID 120920926

IUPAC4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CCCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C14H23F3N2O2.ClH/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);1H
InChIKeySDINJTAVMKFRET-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.40
Rot. Bonds3

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

4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120920926) has the molecular formula C14H24ClF3N2O2 and a molecular weight of 344.81 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride
PubChem CID120920926
Molecular FormulaC14H24ClF3N2O2
Molecular Weight344.81 g/mol
Exact Mass344.15
IUPAC Name4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CCCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C14H23F3N2O2.ClH/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);1H
InChIKeySDINJTAVMKFRET-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.40
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;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride (CID 120920926) is 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NC2CCCC(C(F)(F)F)C2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is SDINJTAVMKFRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2.ClH/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);1H.
What are the key properties of 4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 344.81 g/mol, XLogP of 2.40, 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;hydrochloride is sourced from PubChem (CID 120920926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).