3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

C12H22F3N — CID 79039078

IUPAC3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCCC1CCCC(NCCCC(F)(F)F)C1
InChIInChI=1S/C12H22F3N/c1-2-10-5-3-6-11(9-10)16-8-4-7-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyCKEYHNAQXNTEKB-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.89
Rot. Bonds5

About 3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (PubChem CID 79039078) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
PubChem CID79039078
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCCC1CCCC(NCCCC(F)(F)F)C1
InChIInChI=1S/C12H22F3N/c1-2-10-5-3-6-11(9-10)16-8-4-7-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyCKEYHNAQXNTEKB-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
CID 115516563
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186
5-[(3-ethylcyclohexyl)amino]pentanoic acid
CID 103253769
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405
4-[(3-ethylcyclohexyl)amino]butan-2-ol
CID 64910708
3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine
CID 142945001
3-ethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711132
N-propyl-3-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82789902
N'-butan-2-yl-N-(3-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 103698983
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (CID 79039078) is 3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is CCC1CCCC(NCCCC(F)(F)F)C1.
What is the InChIKey of 3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The InChIKey is CKEYHNAQXNTEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-2-10-5-3-6-11(9-10)16-8-4-7-12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of 3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine has a molecular weight of 237.31 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is sourced from PubChem (CID 79039078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).