[(dimethylamino)methylamino]methanol

C4H12N2O — CID 151843608

IUPAC[(dimethylamino)methylamino]methanol
SMILESCN(C)CNCO
InChIInChI=1S/C4H12N2O/c1-6(2)3-5-4-7/h5,7H,3-4H2,1-2H3
InChIKeySHELMNSYOBMWLJ-UHFFFAOYSA-N
MW104.15 g/mol
LogP-0.96
Rot. Bonds3

About [(dimethylamino)methylamino]methanol

[(dimethylamino)methylamino]methanol (PubChem CID 151843608) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is [(dimethylamino)methylamino]methanol.

Molecular Properties

Compound Name[(dimethylamino)methylamino]methanol
PubChem CID151843608
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name[(dimethylamino)methylamino]methanol
SMILESCN(C)CNCO
InChIInChI=1S/C4H12N2O/c1-6(2)3-5-4-7/h5,7H,3-4H2,1-2H3
InChIKeySHELMNSYOBMWLJ-UHFFFAOYSA-N
XLogP-0.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(dimethylamino)methylamino]methanol?
The IUPAC name of [(dimethylamino)methylamino]methanol (CID 151843608) is [(dimethylamino)methylamino]methanol.
What is the SMILES notation for [(dimethylamino)methylamino]methanol?
The canonical SMILES for [(dimethylamino)methylamino]methanol is CN(C)CNCO.
What is the InChIKey of [(dimethylamino)methylamino]methanol?
The InChIKey is SHELMNSYOBMWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-6(2)3-5-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of [(dimethylamino)methylamino]methanol?
[(dimethylamino)methylamino]methanol has a molecular weight of 104.15 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(dimethylamino)methylamino]methanol is sourced from PubChem (CID 151843608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).