2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol

C13H24F3NO2 — CID 106810635

IUPAC2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
SMILESCCC(CO)(CCCOC(C)C(F)(F)F)NC1CC1
InChIInChI=1S/C13H24F3NO2/c1-3-12(9-18,17-11-5-6-11)7-4-8-19-10(2)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyGVMSJSXBSJLYHG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds9

About 2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol

2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol (PubChem CID 106810635) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
PubChem CID106810635
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
SMILESCCC(CO)(CCCOC(C)C(F)(F)F)NC1CC1
InChIInChI=1S/C13H24F3NO2/c1-3-12(9-18,17-11-5-6-11)7-4-8-19-10(2)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyGVMSJSXBSJLYHG-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810631
2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol
CID 106810269
2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
CID 106810677
2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol
CID 106810706
2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol
CID 106810519
N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine
CID 66274668
5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810597
2-(cyclopropylamino)-2-ethyl-5-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-ol
CID 106809843
methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66275078
2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
CID 114868630
5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810599
2-methyl-2-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66275331

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol (CID 106810635) is 2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol is CCC(CO)(CCCOC(C)C(F)(F)F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
The InChIKey is GVMSJSXBSJLYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-3-12(9-18,17-11-5-6-11)7-4-8-19-10(2)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol?
2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol is sourced from PubChem (CID 106810635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).