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

C13H22F3NO — CID 113463291

IUPACN-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CC(NC2CCCC(OCC(F)(F)F)C2)C1
InChIInChI=1S/C13H22F3NO/c1-9-5-11(6-9)17-10-3-2-4-12(7-10)18-8-13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyBHEKRRTUMIEZMD-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.26
Rot. Bonds4

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

N-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 113463291) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID113463291
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CC(NC2CCCC(OCC(F)(F)F)C2)C1
InChIInChI=1S/C13H22F3NO/c1-9-5-11(6-9)17-10-3-2-4-12(7-10)18-8-13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyBHEKRRTUMIEZMD-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 113463291) is N-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC1CC(NC2CCCC(OCC(F)(F)F)C2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is BHEKRRTUMIEZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-9-5-11(6-9)17-10-3-2-4-12(7-10)18-8-13(14,15)16/h9-12,17H,2-8H2,1H3.
What are the key properties of N-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 113463291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).