[[aminomethyl(methyl)amino]methyl-methylamino]methanol

C5H15N3O — CID 126657197

IUPAC[[aminomethyl(methyl)amino]methyl-methylamino]methanol
SMILESCN(CN)CN(C)CO
InChIInChI=1S/C5H15N3O/c1-7(3-6)4-8(2)5-9/h9H,3-6H2,1-2H3
InChIKeyLPUMITPPHBCYCY-UHFFFAOYSA-N
MW133.19 g/mol
LogP-1.33
Rot. Bonds4

About [[aminomethyl(methyl)amino]methyl-methylamino]methanol

[[aminomethyl(methyl)amino]methyl-methylamino]methanol (PubChem CID 126657197) has the molecular formula C5H15N3O and a molecular weight of 133.19 g/mol. Its IUPAC name is [[aminomethyl(methyl)amino]methyl-methylamino]methanol.

Molecular Properties

Compound Name[[aminomethyl(methyl)amino]methyl-methylamino]methanol
PubChem CID126657197
Molecular FormulaC5H15N3O
Molecular Weight133.19 g/mol
Exact Mass133.12
IUPAC Name[[aminomethyl(methyl)amino]methyl-methylamino]methanol
SMILESCN(CN)CN(C)CO
InChIInChI=1S/C5H15N3O/c1-7(3-6)4-8(2)5-9/h9H,3-6H2,1-2H3
InChIKeyLPUMITPPHBCYCY-UHFFFAOYSA-N
XLogP-1.33
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
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

3-[aminomethyl(methyl)amino]propan-1-ol
CID 169233831
2-aminoethanol;N,N-dimethylmethanamine
CID 159503972
[2-(dimethylamino)ethyl-methylamino]methanol;ethane
CID 145172479
2-aminoethanol;N,N-dimethylmethanamine;dihydrate
CID 174282779
[aminomethyl(hydroxy)amino]methanol
CID 155643761
2-aminoethanol;N,N-dimethylmethanamine;hydrochloride
CID 174601268
dimethylaminomethanol;zinc
CID 87991931
N-(aminomethyl)-N-(hydroxymethyl)acetamide
CID 59944687
N'-(2,2-difluoropropyl)-N'-methylmethanediamine
CID 134422157
N'-fluoro-N'-methylmethanediamine
CID 150625452
2-[aminomethyl(propan-2-yl)amino]propan-1-ol
CID 177367266
ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine
CID 144977225

Frequently Asked Questions

What is the IUPAC name of [[aminomethyl(methyl)amino]methyl-methylamino]methanol?
The IUPAC name of [[aminomethyl(methyl)amino]methyl-methylamino]methanol (CID 126657197) is [[aminomethyl(methyl)amino]methyl-methylamino]methanol.
What is the SMILES notation for [[aminomethyl(methyl)amino]methyl-methylamino]methanol?
The canonical SMILES for [[aminomethyl(methyl)amino]methyl-methylamino]methanol is CN(CN)CN(C)CO.
What is the InChIKey of [[aminomethyl(methyl)amino]methyl-methylamino]methanol?
The InChIKey is LPUMITPPHBCYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O/c1-7(3-6)4-8(2)5-9/h9H,3-6H2,1-2H3.
What are the key properties of [[aminomethyl(methyl)amino]methyl-methylamino]methanol?
[[aminomethyl(methyl)amino]methyl-methylamino]methanol has a molecular weight of 133.19 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[aminomethyl(methyl)amino]methyl-methylamino]methanol is sourced from PubChem (CID 126657197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).