4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine

C14H26F3NO — CID 103031991

IUPAC4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-13(2,19-3)8-7-12(18)10-5-4-6-11(9-10)14(15,16)17/h10-12H,4-9,18H2,1-3H3
InChIKeyWFGMXIYRLKGCFY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.89
Rot. Bonds5

About 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine

4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine (PubChem CID 103031991) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
PubChem CID103031991
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-13(2,19-3)8-7-12(18)10-5-4-6-11(9-10)14(15,16)17/h10-12H,4-9,18H2,1-3H3
InChIKeyWFGMXIYRLKGCFY-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine
CID 21252713
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
4-Propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61748327
4-Tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61749149
4-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61751074
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61751248
4-Propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62740229
10-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64758459
3,3,3-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914930

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine (CID 103031991) is 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine is COC(C)(C)CCC(N)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The InChIKey is WFGMXIYRLKGCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-13(2,19-3)8-7-12(18)10-5-4-6-11(9-10)14(15,16)17/h10-12H,4-9,18H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine is sourced from PubChem (CID 103031991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).