N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

C14H26F3NO — CID 61491402

IUPACN-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCCCNC1CCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-2-9-18-13-8-4-3-6-12(13)7-5-10-19-11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyIWSGBBBSDUSPPU-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds8

About N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (PubChem CID 61491402) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
PubChem CID61491402
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCCCNC1CCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-2-9-18-13-8-4-3-6-12(13)7-5-10-19-11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyIWSGBBBSDUSPPU-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]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

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The IUPAC name of N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (CID 61491402) is N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.
What is the SMILES notation for N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The canonical SMILES for N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is CCCNC1CCCCC1CCCOCC(F)(F)F.
What is the InChIKey of N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The InChIKey is IWSGBBBSDUSPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-2-9-18-13-8-4-3-6-12(13)7-5-10-19-11-14(15,16)17/h12-13,18H,2-11H2,1H3.
What are the key properties of N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is sourced from PubChem (CID 61491402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).