2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol

C12H28N2O2 — CID 11470310

IUPAC2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol
SMILESCN(CCCCN(C)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C12H28N2O2/c1-11(2,15)13(5)9-7-8-10-14(6)12(3,4)16/h15-16H,7-10H2,1-6H3
InChIKeyXAKMWURKPXWMLI-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.09
Rot. Bonds7

About 2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol

2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol (PubChem CID 11470310) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol
PubChem CID11470310
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol
SMILESCN(CCCCN(C)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C12H28N2O2/c1-11(2,15)13(5)9-7-8-10-14(6)12(3,4)16/h15-16H,7-10H2,1-6H3
InChIKeyXAKMWURKPXWMLI-UHFFFAOYSA-N
XLogP1.09
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol?
The IUPAC name of 2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol (CID 11470310) is 2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol.
What is the SMILES notation for 2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol?
The canonical SMILES for 2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol is CN(CCCCN(C)C(C)(C)O)C(C)(C)O.
What is the InChIKey of 2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol?
The InChIKey is XAKMWURKPXWMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-11(2,15)13(5)9-7-8-10-14(6)12(3,4)16/h15-16H,7-10H2,1-6H3.
What are the key properties of 2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol?
2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol has a molecular weight of 232.37 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol is sourced from PubChem (CID 11470310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).