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

C14H26F3NO — CID 54937801

IUPAC4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-2-4-12-5-7-13(8-6-12)18-9-3-10-19-11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyBBEODLXDFMLZKX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds8

About 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (PubChem CID 54937801) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
PubChem CID54937801
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-2-4-12-5-7-13(8-6-12)18-9-3-10-19-11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyBBEODLXDFMLZKX-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The IUPAC name of 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (CID 54937801) is 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The canonical SMILES for 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is CCCC1CCC(NCCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The InChIKey is BBEODLXDFMLZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-2-4-12-5-7-13(8-6-12)18-9-3-10-19-11-14(15,16)17/h12-13,18H,2-11H2,1H3.
What are the key properties of 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
4-propyl-N-[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 4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is sourced from PubChem (CID 54937801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).