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

C16H30F3NO — CID 43435240

IUPACN-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCCCCCCCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C16H30F3NO/c1-2-3-4-5-6-7-11-20-14-9-8-10-15(12-14)21-13-16(17,18)19/h14-15,20H,2-13H2,1H3
InChIKeyGUZLYWBTFJSZMW-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.83
Rot. Bonds10

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

N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435240) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435240
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC NameN-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCCCCCCCNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C16H30F3NO/c1-2-3-4-5-6-7-11-20-14-9-8-10-15(12-14)21-13-16(17,18)19/h14-15,20H,2-13H2,1H3
InChIKeyGUZLYWBTFJSZMW-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(Propan-2-ylamino)cyclohexyl] 2,2,2-trifluoroacetate
CID 59304215
4-fluoro-3-methoxy-N-methylcyclohexan-1-amine
CID 123464531
4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine
CID 170209594
N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435226
N-(2-ethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435233
N-butyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435241
N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435243
N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435247
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine
CID 43435248
N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435249
N-cyclopentyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435250
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cycloheptanamine
CID 43435251

Frequently Asked Questions

What is the IUPAC name of N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435240) is N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCCCCCCCNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is GUZLYWBTFJSZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-2-3-4-5-6-7-11-20-14-9-8-10-15(12-14)21-13-16(17,18)19/h14-15,20H,2-13H2,1H3.
What are the key properties of N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).