N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H23F3N2O2 — CID 106297443

IUPACN-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNCC1(NC(=O)C2CCCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)11-3-1-2-10(8-11)12(20)19-13(9-18)4-6-21-7-5-13/h10-11H,1-9,18H2,(H,19,20)
InChIKeyHGHXZNUWUANQLD-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.98
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106297443) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106297443
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNCC1(NC(=O)C2CCCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)11-3-1-2-10(8-11)12(20)19-13(9-18)4-6-21-7-5-13/h10-11H,1-9,18H2,(H,19,20)
InChIKeyHGHXZNUWUANQLD-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

Analyze N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide 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 N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106297443) is N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is NCC1(NC(=O)C2CCCC(C(F)(F)F)C2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is HGHXZNUWUANQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)11-3-1-2-10(8-11)12(20)19-13(9-18)4-6-21-7-5-13/h10-11H,1-9,18H2,(H,19,20).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-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 N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106297443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).