N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO — CID 55243385

IUPACN-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCC1CCCOC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-10-4-3-7-18-9-10/h10-12,17H,1-9H2
InChIKeyHFXLJJYXKHFFKR-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds3

About N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 55243385) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID55243385
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCC1CCCOC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-10-4-3-7-18-9-10/h10-12,17H,1-9H2
InChIKeyHFXLJJYXKHFFKR-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 106124528
2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine
CID 115336064
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
4,4,4-trifluoro-N-(oxan-3-ylmethyl)butan-2-amine
CID 103778206
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 120914013
cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 124834368
tert-butyl N-[[2-(oxan-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695439
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 55243385) is N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HFXLJJYXKHFFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-10-4-3-7-18-9-10/h10-12,17H,1-9H2.
What are the key properties of N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 55243385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).