N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H24F3NO — CID 114228172

IUPACN-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC(C)(C)C(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-9(12(2,3)18-4)17-11-7-5-10(6-8-11)13(14,15)16/h9-11,17H,5-8H2,1-4H3
InChIKeyYWVDARHNZJVWPN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds4

About N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 114228172) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID114228172
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC(C)(C)C(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-9(12(2,3)18-4)17-11-7-5-10(6-8-11)13(14,15)16/h9-11,17H,5-8H2,1-4H3
InChIKeyYWVDARHNZJVWPN-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 126558146
1-[4-[3-ethoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-N-methylmethanamine
CID 132101719
4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 164787017
N-(2-butoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101588
N-(2-ethoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101589
N-(4-methylcyclohexyl)-3-(trifluoromethyl)oxetan-3-amine
CID 169614710
3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine
CID 170061681
N-(4-methoxy-4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730350
N-(4-methoxy-4-methylpentan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730622
N-(4-methoxy-4-methylpentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747368
2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43788025

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 114228172) is N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is COC(C)(C)C(C)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YWVDARHNZJVWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(12(2,3)18-4)17-11-7-5-10(6-8-11)13(14,15)16/h9-11,17H,5-8H2,1-4H3.
What are the key properties of N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 114228172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).