[4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

C16H30F3NO — CID 62724900

IUPAC[4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C16H30F3NO/c1-14(2,3)13-5-8-15(11-20,9-6-13)7-4-10-21-12-16(17,18)19/h13H,4-12,20H2,1-3H3
InChIKeyWGRPCZSZMKWLTO-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.53
Rot. Bonds6

About [4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

[4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (PubChem CID 62724900) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is [4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
PubChem CID62724900
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name[4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C16H30F3NO/c1-14(2,3)13-5-8-15(11-20,9-6-13)7-4-10-21-12-16(17,18)19/h13H,4-12,20H2,1-3H3
InChIKeyWGRPCZSZMKWLTO-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.53
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-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (CID 62724900) is [4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)(CCCOCC(F)(F)F)CC1.
What is the InChIKey of [4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The InChIKey is WGRPCZSZMKWLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-14(2,3)13-5-8-15(11-20,9-6-13)7-4-10-21-12-16(17,18)19/h13H,4-12,20H2,1-3H3.
What are the key properties of [4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
[4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine has a molecular weight of 309.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is sourced from PubChem (CID 62724900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).