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

C11H19F3N2O — CID 55011609

IUPAC1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESOC(CNC1CC1)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)7-16(9-3-4-9)6-10(17)5-15-8-1-2-8/h8-10,15,17H,1-7H2
InChIKeyLZVOSOFDCCBEFG-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.13
Rot. Bonds7

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

1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 55011609) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID55011609
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESOC(CNC1CC1)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)7-16(9-3-4-9)6-10(17)5-15-8-1-2-8/h8-10,15,17H,1-7H2
InChIKeyLZVOSOFDCCBEFG-UHFFFAOYSA-N
XLogP1.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 55011609) is 1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol is OC(CNC1CC1)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is LZVOSOFDCCBEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)7-16(9-3-4-9)6-10(17)5-15-8-1-2-8/h8-10,15,17H,1-7H2.
What are the key properties of 1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 252.28 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 55011609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).