2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol

C12H25F3N2O — CID 64826484

IUPAC2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol
SMILESCC(C)N(CCCCC(C)(N)CO)CC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-10(2)17(8-12(13,14)15)7-5-4-6-11(3,16)9-18/h10,18H,4-9,16H2,1-3H3
InChIKeyAARYNLFQJNSPCH-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.14
Rot. Bonds8

About 2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol

2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol (PubChem CID 64826484) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol
PubChem CID64826484
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol
SMILESCC(C)N(CCCCC(C)(N)CO)CC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-10(2)17(8-12(13,14)15)7-5-4-6-11(3,16)9-18/h10,18H,4-9,16H2,1-3H3
InChIKeyAARYNLFQJNSPCH-UHFFFAOYSA-N
XLogP2.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol (CID 64826484) is 2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol is CC(C)N(CCCCC(C)(N)CO)CC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
The InChIKey is AARYNLFQJNSPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-10(2)17(8-12(13,14)15)7-5-4-6-11(3,16)9-18/h10,18H,4-9,16H2,1-3H3.
What are the key properties of 2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol?
2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol has a molecular weight of 270.34 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol is sourced from PubChem (CID 64826484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).