N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H23F3N2O2 — CID 106297355

IUPACN-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNCC1(NC(=O)C2CCCCC2C(F)(F)F)CCOCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)11-4-2-1-3-10(11)12(20)19-13(9-18)5-7-21-8-6-13/h10-11H,1-9,18H2,(H,19,20)
InChIKeyNWFBDXDYGRDRNG-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.98
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106297355) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106297355
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNCC1(NC(=O)C2CCCCC2C(F)(F)F)CCOCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)11-4-2-1-3-10(11)12(20)19-13(9-18)5-7-21-8-6-13/h10-11H,1-9,18H2,(H,19,20)
InChIKeyNWFBDXDYGRDRNG-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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Related Compounds

N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103548375
N-[4-(aminomethyl)oxan-4-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106297186
N-[4-(aminomethyl)oxan-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106297443
N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 106297520
4-amino-N-[[4-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide
CID 120028107
4-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120028944
4-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide
CID 120028945
2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide
CID 120796204
3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide
CID 121537150
(1S)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide
CID 124874840
(1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide
CID 124874846
4-[(4,4-Difluorocyclohexanecarbonyl)amino]oxane-4-carboxamide
CID 132302446

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106297355) is N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is NCC1(NC(=O)C2CCCCC2C(F)(F)F)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is NWFBDXDYGRDRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)11-4-2-1-3-10(11)12(20)19-13(9-18)5-7-21-8-6-13/h10-11H,1-9,18H2,(H,19,20).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-2-(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]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106297355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).