[2-(methylamino)ethylamino]methanol

C4H12N2O — CID 58963756

IUPAC[2-(methylamino)ethylamino]methanol
SMILESCNCCNCO
InChIInChI=1S/C4H12N2O/c1-5-2-3-6-4-7/h5-7H,2-4H2,1H3
InChIKeyIWDOCGMEBOODOL-UHFFFAOYSA-N
MW104.15 g/mol
LogP-1.25
Rot. Bonds4

About [2-(methylamino)ethylamino]methanol

[2-(methylamino)ethylamino]methanol (PubChem CID 58963756) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is [2-(methylamino)ethylamino]methanol.

Molecular Properties

Compound Name[2-(methylamino)ethylamino]methanol
PubChem CID58963756
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name[2-(methylamino)ethylamino]methanol
SMILESCNCCNCO
InChIInChI=1S/C4H12N2O/c1-5-2-3-6-4-7/h5-7H,2-4H2,1H3
InChIKeyIWDOCGMEBOODOL-UHFFFAOYSA-N
XLogP-1.25
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(methylamino)ethylamino]methanol with MolForge

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

Launch Full Analysis

Related Compounds

N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
[[methyl(methylaminomethyl)amino]methylamino]methanol
CID 129163630
2-[2-(methylamino)ethylamino]acetohydrazide
CID 148941784
copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate
CID 139057101
(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001
methanol;propylaminomethanol;hydrate
CID 173447379
[12-(hydroxymethylamino)dodecylamino]methanol
CID 20588216
2-(methylamino)ethanol;platinum
CID 174353574
methane;2-(methylamino)ethanol
CID 158004537
2-(methylamino)ethanol;nobelium
CID 59962769
butylaminomethanol;propane
CID 169245417

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)ethylamino]methanol?
The IUPAC name of [2-(methylamino)ethylamino]methanol (CID 58963756) is [2-(methylamino)ethylamino]methanol.
What is the SMILES notation for [2-(methylamino)ethylamino]methanol?
The canonical SMILES for [2-(methylamino)ethylamino]methanol is CNCCNCO.
What is the InChIKey of [2-(methylamino)ethylamino]methanol?
The InChIKey is IWDOCGMEBOODOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-5-2-3-6-4-7/h5-7H,2-4H2,1H3.
What are the key properties of [2-(methylamino)ethylamino]methanol?
[2-(methylamino)ethylamino]methanol has a molecular weight of 104.15 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)ethylamino]methanol is sourced from PubChem (CID 58963756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).