2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C13H23F3N2O — CID 64826485

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCN(CC(F)(F)F)CC(CO)(NC1CC1)C1CC1
InChIInChI=1S/C13H23F3N2O/c1-2-18(8-13(14,15)16)7-12(9-19,10-3-4-10)17-11-5-6-11/h10-11,17,19H,2-9H2,1H3
InChIKeyJZHRJVVPPWJAHV-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.76
Rot. Bonds8

About 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 64826485) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID64826485
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCCN(CC(F)(F)F)CC(CO)(NC1CC1)C1CC1
InChIInChI=1S/C13H23F3N2O/c1-2-18(8-13(14,15)16)7-12(9-19,10-3-4-10)17-11-5-6-11/h10-11,17,19H,2-9H2,1H3
InChIKeyJZHRJVVPPWJAHV-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 64826485) is 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is CCN(CC(F)(F)F)CC(CO)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is JZHRJVVPPWJAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-18(8-13(14,15)16)7-12(9-19,10-3-4-10)17-11-5-6-11/h10-11,17,19H,2-9H2,1H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 64826485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).