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

C11H27N3O — CID 175145036

IUPAC2,2,2-tris(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)(NC(C)C)NC(C)C
InChIInChI=1S/C11H27N3O/c1-8(2)12-11(7-15,13-9(3)4)14-10(5)6/h8-10,12-15H,7H2,1-6H3
InChIKeyIUUVMBFSKYXKNC-UHFFFAOYSA-N
MW217.36 g/mol
LogP0.63
Rot. Bonds7

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

2,2,2-tris(propan-2-ylamino)ethanol (PubChem CID 175145036) has the molecular formula C11H27N3O and a molecular weight of 217.36 g/mol. Its IUPAC name is 2,2,2-tris(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name2,2,2-tris(propan-2-ylamino)ethanol
PubChem CID175145036
Molecular FormulaC11H27N3O
Molecular Weight217.36 g/mol
Exact Mass217.22
IUPAC Name2,2,2-tris(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)(NC(C)C)NC(C)C
InChIInChI=1S/C11H27N3O/c1-8(2)12-11(7-15,13-9(3)4)14-10(5)6/h8-10,12-15H,7H2,1-6H3
InChIKeyIUUVMBFSKYXKNC-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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Related Compounds

2-(1-hydroxyethylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 57265452
4-methoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64804081
2-(hydroxymethyl)-2-(propan-2-ylamino)but-3-enoic acid
CID 139430250
2-(hydroxymethyl)-2-(propan-2-ylamino)but-3-ynoic acid
CID 146439090
1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine
CID 123271781
3-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 115921099
amino-(propan-2-ylamino)methanediol
CID 163473604
tris(2-hydroxyethyl)-methylphosphanium
CID 14746820
2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64798699
4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64802828
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 65286449
2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol
CID 107852675

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tris(propan-2-ylamino)ethanol?
The IUPAC name of 2,2,2-tris(propan-2-ylamino)ethanol (CID 175145036) is 2,2,2-tris(propan-2-ylamino)ethanol.
What is the SMILES notation for 2,2,2-tris(propan-2-ylamino)ethanol?
The canonical SMILES for 2,2,2-tris(propan-2-ylamino)ethanol is CC(C)NC(CO)(NC(C)C)NC(C)C.
What is the InChIKey of 2,2,2-tris(propan-2-ylamino)ethanol?
The InChIKey is IUUVMBFSKYXKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O/c1-8(2)12-11(7-15,13-9(3)4)14-10(5)6/h8-10,12-15H,7H2,1-6H3.
What are the key properties of 2,2,2-tris(propan-2-ylamino)ethanol?
2,2,2-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 2,2,2-tris(propan-2-ylamino)ethanol is sourced from PubChem (CID 175145036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).