1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol

C11H21F3N2O — CID 64821348

IUPAC1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2O/c1-8(5-10(2,17)6-15)16(9-3-4-9)7-11(12,13)14/h8-9,17H,3-7,15H2,1-2H3
InChIKeyZNDNVHUBJWSWTA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds6

About 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol

1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol (PubChem CID 64821348) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol
PubChem CID64821348
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2O/c1-8(5-10(2,17)6-15)16(9-3-4-9)7-11(12,13)14/h8-9,17H,3-7,15H2,1-2H3
InChIKeyZNDNVHUBJWSWTA-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-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 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol (CID 64821348) is 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol is CC(CC(C)(O)CN)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol?
The InChIKey is ZNDNVHUBJWSWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(5-10(2,17)6-15)16(9-3-4-9)7-11(12,13)14/h8-9,17H,3-7,15H2,1-2H3.
What are the key properties of 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol?
1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 64821348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).