N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C13H24F3NO — CID 43748955

IUPACN-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCCCCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-2-3-4-8-17-11-6-5-7-12(9-11)18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyDHQXBIBKRFPLNZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.66
Rot. Bonds7

About N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748955) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748955
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCCCCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-2-3-4-8-17-11-6-5-7-12(9-11)18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyDHQXBIBKRFPLNZ-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748955) is N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCCCCNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is DHQXBIBKRFPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-3-4-8-17-11-6-5-7-12(9-11)18-10-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).