1,1,2-tris(propan-2-ylamino)ethanol

C11H27N3O — CID 175145037

IUPAC1,1,2-tris(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)(NC(C)C)NC(C)C
InChIInChI=1S/C11H27N3O/c1-8(2)12-7-11(15,13-9(3)4)14-10(5)6/h8-10,12-15H,7H2,1-6H3
InChIKeyFLQAYQXVUFILRB-UHFFFAOYSA-N
MW217.36 g/mol
LogP0.63
Rot. Bonds7

About 1,1,2-tris(propan-2-ylamino)ethanol

1,1,2-tris(propan-2-ylamino)ethanol (PubChem CID 175145037) has the molecular formula C11H27N3O and a molecular weight of 217.36 g/mol. Its IUPAC name is 1,1,2-tris(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1,1,2-tris(propan-2-ylamino)ethanol
PubChem CID175145037
Molecular FormulaC11H27N3O
Molecular Weight217.36 g/mol
Exact Mass217.22
IUPAC Name1,1,2-tris(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)(NC(C)C)NC(C)C
InChIInChI=1S/C11H27N3O/c1-8(2)12-7-11(15,13-9(3)4)14-10(5)6/h8-10,12-15H,7H2,1-6H3
InChIKeyFLQAYQXVUFILRB-UHFFFAOYSA-N
XLogP0.63
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(propan-2-ylamino)ethanol?
The IUPAC name of 1,1,2-tris(propan-2-ylamino)ethanol (CID 175145037) is 1,1,2-tris(propan-2-ylamino)ethanol.
What is the SMILES notation for 1,1,2-tris(propan-2-ylamino)ethanol?
The canonical SMILES for 1,1,2-tris(propan-2-ylamino)ethanol is CC(C)NCC(O)(NC(C)C)NC(C)C.
What is the InChIKey of 1,1,2-tris(propan-2-ylamino)ethanol?
The InChIKey is FLQAYQXVUFILRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O/c1-8(2)12-7-11(15,13-9(3)4)14-10(5)6/h8-10,12-15H,7H2,1-6H3.
What are the key properties of 1,1,2-tris(propan-2-ylamino)ethanol?
1,1,2-tris(propan-2-ylamino)ethanol has a molecular weight of 217.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(propan-2-ylamino)ethanol is sourced from PubChem (CID 175145037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).