6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol

C14H27F3N2O — CID 64825492

IUPAC6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H27F3N2O/c1-3-18-13(2,11-20)8-4-5-9-19(12-6-7-12)10-14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyUNJZUOKQPNLVBI-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.54
Rot. Bonds10

About 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol

6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol (PubChem CID 64825492) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
PubChem CID64825492
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H27F3N2O/c1-3-18-13(2,11-20)8-4-5-9-19(12-6-7-12)10-14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyUNJZUOKQPNLVBI-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-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 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol (CID 64825492) is 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol is CCNC(C)(CO)CCCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
The InChIKey is UNJZUOKQPNLVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-18-13(2,11-20)8-4-5-9-19(12-6-7-12)10-14(15,16)17/h12,18,20H,3-11H2,1-2H3.
What are the key properties of 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol?
6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol has a molecular weight of 296.38 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64825492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).