cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine

C12H20F3N — CID 105187570

IUPACcyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1CCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N/c13-12(14,15)10-6-4-9(5-7-10)11(16)8-2-1-3-8/h8-11H,1-7,16H2
InChIKeyPKJLDWZSKMAPQG-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.48
Rot. Bonds2

About cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine

cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105187570) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Namecyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105187570
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Namecyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(C1CCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N/c13-12(14,15)10-6-4-9(5-7-10)11(16)8-2-1-3-8/h8-11H,1-7,16H2
InChIKeyPKJLDWZSKMAPQG-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105153876
cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105147261
(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105156191
(2S)-2-amino-2-[4-(trifluoromethyl)cyclohexyl]acetonitrile
CID 166454783
cycloheptyl(cyclohexyl)methanamine
CID 65399873
1-cyclohexyl-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105080029
4-(trifluoromethyl)cycloheptan-1-amine
CID 86775157
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105166161
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163124
[2-methyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine
CID 105281756
4-[amino(cyclopentyl)methyl]cyclohexan-1-ol
CID 116941893

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105187570) is cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine is NC(C1CCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is PKJLDWZSKMAPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c13-12(14,15)10-6-4-9(5-7-10)11(16)8-2-1-3-8/h8-11H,1-7,16H2.
What are the key properties of cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine?
cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 235.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105187570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).