N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine

C12H22F3N — CID 162546808

IUPACN-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine
SMILESCC(C)CCC(CNC1CCC1)C(F)(F)F
InChIInChI=1S/C12H22F3N/c1-9(2)6-7-10(12(13,14)15)8-16-11-4-3-5-11/h9-11,16H,3-8H2,1-2H3
InChIKeyMBYJKTRTKVGGOP-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.74
Rot. Bonds6

About N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine

N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine (PubChem CID 162546808) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine.

Molecular Properties

Compound NameN-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine
PubChem CID162546808
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC NameN-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine
SMILESCC(C)CCC(CNC1CCC1)C(F)(F)F
InChIInChI=1S/C12H22F3N/c1-9(2)6-7-10(12(13,14)15)8-16-11-4-3-5-11/h9-11,16H,3-8H2,1-2H3
InChIKeyMBYJKTRTKVGGOP-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine
CID 62529767
N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine
CID 66276847
1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 62569636
1-(cyclobutylamino)butan-2-ol
CID 62416322
N-[2-(4-methylpentoxy)propyl]cyclopentanamine
CID 62598653
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
N-(2,2-difluoropropyl)cyclobutanamine
CID 84649304
1-(cyclooctylamino)propan-2-ol
CID 20539535
N-(2-methylbutyl)cyclopentanamine
CID 43200714
1-(cycloheptylamino)propan-2-ol
CID 43392225

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine?
The IUPAC name of N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine (CID 162546808) is N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine.
What is the SMILES notation for N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine?
The canonical SMILES for N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine is CC(C)CCC(CNC1CCC1)C(F)(F)F.
What is the InChIKey of N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine?
The InChIKey is MBYJKTRTKVGGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-9(2)6-7-10(12(13,14)15)8-16-11-4-3-5-11/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine?
N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine has a molecular weight of 237.31 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(trifluoromethyl)hexyl]cyclobutanamine is sourced from PubChem (CID 162546808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).