N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine

C13H24F3N — CID 43434495

IUPACN-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(CC)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-3-10(4-2)9-17-12-8-6-5-7-11(12)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyNMQLKLRCYXIGNF-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.13
Rot. Bonds5

About N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434495) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434495
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC NameN-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(CC)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-3-10(4-2)9-17-12-8-6-5-7-11(12)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyNMQLKLRCYXIGNF-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 43434495) is N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine is CCC(CC)CNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NMQLKLRCYXIGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-3-10(4-2)9-17-12-8-6-5-7-11(12)13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).