[4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

C15H28F3NO — CID 81012779

IUPAC[4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-2-4-12-6-7-14(10-19)13(9-12)5-3-8-20-11-15(16,17)18/h12-14H,2-11,19H2,1H3
InChIKeyVQWZTLDJFHKVCI-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.14
Rot. Bonds8

About [4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

[4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (PubChem CID 81012779) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is [4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
PubChem CID81012779
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name[4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-2-4-12-6-7-14(10-19)13(9-12)5-3-8-20-11-15(16,17)18/h12-14H,2-11,19H2,1H3
InChIKeyVQWZTLDJFHKVCI-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.14
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-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The IUPAC name of [4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (CID 81012779) is [4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The canonical SMILES for [4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is CCCC1CCC(CN)C(CCCOCC(F)(F)F)C1.
What is the InChIKey of [4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The InChIKey is VQWZTLDJFHKVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-2-4-12-6-7-14(10-19)13(9-12)5-3-8-20-11-15(16,17)18/h12-14H,2-11,19H2,1H3.
What are the key properties of [4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
[4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine has a molecular weight of 295.39 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is sourced from PubChem (CID 81012779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).