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

C14H25F3N2O — CID 64826482

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCC(C)N(CC(F)(F)F)CC(CO)(NC1CC1)C1CC1
InChIInChI=1S/C14H25F3N2O/c1-10(2)19(8-14(15,16)17)7-13(9-20,11-3-4-11)18-12-5-6-12/h10-12,18,20H,3-9H2,1-2H3
InChIKeyNGDBCZNLBPRMOA-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.15
Rot. Bonds8

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

2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 64826482) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID64826482
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCC(C)N(CC(F)(F)F)CC(CO)(NC1CC1)C1CC1
InChIInChI=1S/C14H25F3N2O/c1-10(2)19(8-14(15,16)17)7-13(9-20,11-3-4-11)18-12-5-6-12/h10-12,18,20H,3-9H2,1-2H3
InChIKeyNGDBCZNLBPRMOA-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 64826482) is 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol is CC(C)N(CC(F)(F)F)CC(CO)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is NGDBCZNLBPRMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-10(2)19(8-14(15,16)17)7-13(9-20,11-3-4-11)18-12-5-6-12/h10-12,18,20H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 294.36 g/mol, XLogP of 2.15, 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-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 64826482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).