N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine

C12H20F3NO — CID 104870855

IUPACN-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1CC(NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C12H20F3NO/c1-17-11-6-10(7-11)16-9-4-2-3-8(5-9)12(13,14)15/h8-11,16H,2-7H2,1H3
InChIKeyVBZKIURKBZOKCL-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.87
Rot. Bonds3

About N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104870855) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104870855
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1CC(NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C12H20F3NO/c1-17-11-6-10(7-11)16-9-4-2-3-8(5-9)12(13,14)15/h8-11,16H,2-7H2,1H3
InChIKeyVBZKIURKBZOKCL-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 104870855) is N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine is COC1CC(NC2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VBZKIURKBZOKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-17-11-6-10(7-11)16-9-4-2-3-8(5-9)12(13,14)15/h8-11,16H,2-7H2,1H3.
What are the key properties of N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104870855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).