[2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol

C14H33N3O — CID 159836606

IUPAC[2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol
SMILESCNCN(CN(CO)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H33N3O/c1-13(2,3)8-16(10-15-7)11-17(12-18)9-14(4,5)6/h15,18H,8-12H2,1-7H3
InChIKeyMGBPLIZVSBZGJT-UHFFFAOYSA-N
MW259.44 g/mol
LogP1.77
Rot. Bonds7

About [2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol

[2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol (PubChem CID 159836606) has the molecular formula C14H33N3O and a molecular weight of 259.44 g/mol. Its IUPAC name is [2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol.

Molecular Properties

Compound Name[2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol
PubChem CID159836606
Molecular FormulaC14H33N3O
Molecular Weight259.44 g/mol
Exact Mass259.26
IUPAC Name[2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol
SMILESCNCN(CN(CO)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H33N3O/c1-13(2,3)8-16(10-15-7)11-17(12-18)9-14(4,5)6/h15,18H,8-12H2,1-7H3
InChIKeyMGBPLIZVSBZGJT-UHFFFAOYSA-N
XLogP1.77
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol?
The IUPAC name of [2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol (CID 159836606) is [2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol.
What is the SMILES notation for [2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol?
The canonical SMILES for [2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol is CNCN(CN(CO)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of [2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol?
The InChIKey is MGBPLIZVSBZGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O/c1-13(2,3)8-16(10-15-7)11-17(12-18)9-14(4,5)6/h15,18H,8-12H2,1-7H3.
What are the key properties of [2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol?
[2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol has a molecular weight of 259.44 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethylpropyl-[[2,2-dimethylpropyl(methylaminomethyl)amino]methyl]amino]methanol is sourced from PubChem (CID 159836606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).