2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol

C14H29F3N2O — CID 64825496

IUPAC2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
SMILESCCCN(CCCCC(C)(CO)NCC)CC(F)(F)F
InChIInChI=1S/C14H29F3N2O/c1-4-9-19(11-14(15,16)17)10-7-6-8-13(3,12-20)18-5-2/h18,20H,4-12H2,1-3H3
InChIKeyNBFFAQVNAOLMAV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.79
Rot. Bonds11

About 2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol

2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol (PubChem CID 64825496) has the molecular formula C14H29F3N2O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
PubChem CID64825496
Molecular FormulaC14H29F3N2O
Molecular Weight298.39 g/mol
Exact Mass298.22
IUPAC Name2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
SMILESCCCN(CCCCC(C)(CO)NCC)CC(F)(F)F
InChIInChI=1S/C14H29F3N2O/c1-4-9-19(11-14(15,16)17)10-7-6-8-13(3,12-20)18-5-2/h18,20H,4-12H2,1-3H3
InChIKeyNBFFAQVNAOLMAV-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-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

Related Compounds

2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-1-ol
CID 64826085
6-(dipropylamino)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796522
2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
CID 106713942
6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 64827639
2-(ethylamino)-2-methyl-4-[methyl(pentyl)amino]butan-1-ol
CID 64796168
6-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propylamino)hexan-1-ol
CID 64825383
2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809373
2-(cyclopropylamino)-6-[ethyl(propyl)amino]-2-methylhexan-1-ol
CID 64797663
2-(ethylamino)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-1-ol
CID 64827995
2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide
CID 65259742
5-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
CID 64788989
6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 81065078

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol (CID 64825496) is 2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol is CCCN(CCCCC(C)(CO)NCC)CC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
The InChIKey is NBFFAQVNAOLMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2O/c1-4-9-19(11-14(15,16)17)10-7-6-8-13(3,12-20)18-5-2/h18,20H,4-12H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol has a molecular weight of 298.39 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol is sourced from PubChem (CID 64825496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).