N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine

C14H26F3NO — CID 104844849

IUPACN-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCC(C)(C)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-13(2,8-9-19-3)10-18-12-6-4-11(5-7-12)14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyGKVMSXJYENXJHP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds6

About N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844849) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844849
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCC(C)(C)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-13(2,8-9-19-3)10-18-12-6-4-11(5-7-12)14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyGKVMSXJYENXJHP-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755681
N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 82714410
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844810
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 102609647
N-(2,2,5,5-tetramethylhexyl)cyclopropanamine
CID 62725148
N'-cyclopropyl-N,N-bis(2-methoxyethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259169
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550
N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753627
N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine
CID 62717827
N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 104628831
3-(4-fluorophenyl)-N-(4-methoxy-2,2-dimethylbutyl)cyclobutan-1-amine
CID 104651089
N-(2,2,5-trimethylhexyl)cyclopropanamine
CID 62724341

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844849) is N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine is COCCC(C)(C)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GKVMSXJYENXJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-13(2,8-9-19-3)10-18-12-6-4-11(5-7-12)14(15,16)17/h11-12,18H,4-10H2,1-3H3.
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).