N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine

C15H26F3NO — CID 64852108

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCOC1CC(NC2CCCCC2C(F)(F)F)C1(C)C
InChIInChI=1S/C15H26F3NO/c1-4-20-13-9-12(14(13,2)3)19-11-8-6-5-7-10(11)15(16,17)18/h10-13,19H,4-9H2,1-3H3
InChIKeyREXBCPHXVIBFOB-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.90
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64852108) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64852108
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCOC1CC(NC2CCCCC2C(F)(F)F)C1(C)C
InChIInChI=1S/C15H26F3NO/c1-4-20-13-9-12(14(13,2)3)19-11-8-6-5-7-10(11)15(16,17)18/h10-13,19H,4-9H2,1-3H3
InChIKeyREXBCPHXVIBFOB-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 64852108) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine is CCOC1CC(NC2CCCCC2C(F)(F)F)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is REXBCPHXVIBFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-4-20-13-9-12(14(13,2)3)19-11-8-6-5-7-10(11)15(16,17)18/h10-13,19H,4-9H2,1-3H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64852108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).