N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H26F3NO — CID 62951710

IUPACN-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)(C)CCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-13(2,3)7-8-18-11-5-4-6-12(9-11)19-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyUJTFLLKLSBLHGK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds5

About N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 62951710) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID62951710
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)(C)CCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-13(2,3)7-8-18-11-5-4-6-12(9-11)19-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyUJTFLLKLSBLHGK-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 123464531
CID 123464531
CID 170209594
CID 170209594
CID 43435226
CID 43435226
CID 43435232
CID 43435232
CID 43435233
CID 43435233
CID 43435240
CID 43435240
CID 43435241
CID 43435241
CID 43435243
CID 43435243
CID 43435245
CID 43435245
CID 43435246
CID 43435246
CID 43435249
CID 43435249
CID 43435250
CID 43435250

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 62951710) is N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(C)(C)CCNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is UJTFLLKLSBLHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-13(2,3)7-8-18-11-5-4-6-12(9-11)19-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3.
What are the key properties of N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 62951710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).