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

C15H28F3NO — CID 81012909

IUPAC[4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-11(2)12-5-6-14(9-19)13(8-12)4-3-7-20-10-15(16,17)18/h11-14H,3-10,19H2,1-2H3
InChIKeyCDQZUSYZNGFAQX-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.99
Rot. Bonds7

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

[4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (PubChem CID 81012909) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is [4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
PubChem CID81012909
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name[4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-11(2)12-5-6-14(9-19)13(8-12)4-3-7-20-10-15(16,17)18/h11-14H,3-10,19H2,1-2H3
InChIKeyCDQZUSYZNGFAQX-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.99
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-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The IUPAC name of [4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (CID 81012909) is [4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The canonical SMILES for [4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is CC(C)C1CCC(CN)C(CCCOCC(F)(F)F)C1.
What is the InChIKey of [4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The InChIKey is CDQZUSYZNGFAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-11(2)12-5-6-14(9-19)13(8-12)4-3-7-20-10-15(16,17)18/h11-14H,3-10,19H2,1-2H3.
What are the key properties of [4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
[4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine has a molecular weight of 295.39 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is sourced from PubChem (CID 81012909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).