[bis(methylaminomethyl)amino]methanol

C5H15N3O — CID 150700943

IUPAC[bis(methylaminomethyl)amino]methanol
SMILESCNCN(CO)CNC
InChIInChI=1S/C5H15N3O/c1-6-3-8(5-9)4-7-2/h6-7,9H,3-5H2,1-2H3
InChIKeyJLWBBNYPHGCVRF-UHFFFAOYSA-N
MW133.20 g/mol
LogP-1.41
Rot. Bonds5

About [bis(methylaminomethyl)amino]methanol

[bis(methylaminomethyl)amino]methanol (PubChem CID 150700943) has the molecular formula C5H15N3O and a molecular weight of 133.20 g/mol. Its IUPAC name is [bis(methylaminomethyl)amino]methanol.

Molecular Properties

Compound Name[bis(methylaminomethyl)amino]methanol
PubChem CID150700943
Molecular FormulaC5H15N3O
Molecular Weight133.20 g/mol
Exact Mass133.12
IUPAC Name[bis(methylaminomethyl)amino]methanol
SMILESCNCN(CO)CNC
InChIInChI=1S/C5H15N3O/c1-6-3-8(5-9)4-7-2/h6-7,9H,3-5H2,1-2H3
InChIKeyJLWBBNYPHGCVRF-UHFFFAOYSA-N
XLogP-1.41
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.20
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
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

[[methyl(methylaminomethyl)amino]methylamino]methanol
CID 129163630
[bis(hydroxymethyl)amino]methanol;titanium
CID 174785911
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
2-(methylamino)ethanol;platinum
CID 174353574
2-(methylamino)ethanol;nobelium
CID 59962769
methane;2-(methylamino)ethanol
CID 158004537
2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid
CID 118019685
N,N'-dimethyl-N'-propylmethanediamine;ethane
CID 142961631
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
N-(methylaminomethyl)-N-propylhydroxylamine
CID 89116814
ethane;N-(1-hydroxy-3-oxobutan-2-yl)-N-[2-(methylamino)ethyl]acetamide
CID 170621924
[2-(methylamino)ethylamino]methanol
CID 58963756

Frequently Asked Questions

What is the IUPAC name of [bis(methylaminomethyl)amino]methanol?
The IUPAC name of [bis(methylaminomethyl)amino]methanol (CID 150700943) is [bis(methylaminomethyl)amino]methanol.
What is the SMILES notation for [bis(methylaminomethyl)amino]methanol?
The canonical SMILES for [bis(methylaminomethyl)amino]methanol is CNCN(CO)CNC.
What is the InChIKey of [bis(methylaminomethyl)amino]methanol?
The InChIKey is JLWBBNYPHGCVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O/c1-6-3-8(5-9)4-7-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of [bis(methylaminomethyl)amino]methanol?
[bis(methylaminomethyl)amino]methanol has a molecular weight of 133.20 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(methylaminomethyl)amino]methanol is sourced from PubChem (CID 150700943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).