2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine

C13H24F3N — CID 105168584

IUPAC2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
SMILESCCC(CC)C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-3-9(4-2)12(17)10-7-5-6-8-11(10)13(14,15)16/h9-12H,3-8,17H2,1-2H3
InChIKeyNCPBMDYCRMADJQ-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.12
Rot. Bonds4

About 2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine

2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine (PubChem CID 105168584) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
PubChem CID105168584
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
SMILESCCC(CC)C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-3-9(4-2)12(17)10-7-5-6-8-11(10)13(14,15)16/h9-12H,3-8,17H2,1-2H3
InChIKeyNCPBMDYCRMADJQ-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105151227
3-methylidene-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105164028
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105078920
1-amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one
CID 121371206
4-ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105152632
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
[2-methyl-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine
CID 105281791
N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105081119
2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105139095
(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105103841
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138024
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105125593

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine?
The IUPAC name of 2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine (CID 105168584) is 2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine?
The canonical SMILES for 2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine is CCC(CC)C(N)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine?
The InChIKey is NCPBMDYCRMADJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-3-9(4-2)12(17)10-7-5-6-8-11(10)13(14,15)16/h9-12H,3-8,17H2,1-2H3.
What are the key properties of 2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine?
2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine is sourced from PubChem (CID 105168584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).