tris(2-aminoethylamino)methanol

C7H22N6O — CID 87239432

IUPACtris(2-aminoethylamino)methanol
SMILESNCCNC(O)(NCCN)NCCN
InChIInChI=1S/C7H22N6O/c8-1-4-11-7(14,12-5-2-9)13-6-3-10/h11-14H,1-6,8-10H2
InChIKeyOSNDWMCRDHQPAA-UHFFFAOYSA-N
MW206.29 g/mol
LogP-3.77
Rot. Bonds9

About tris(2-aminoethylamino)methanol

tris(2-aminoethylamino)methanol (PubChem CID 87239432) has the molecular formula C7H22N6O and a molecular weight of 206.29 g/mol. Its IUPAC name is tris(2-aminoethylamino)methanol.

Molecular Properties

Compound Nametris(2-aminoethylamino)methanol
PubChem CID87239432
Molecular FormulaC7H22N6O
Molecular Weight206.29 g/mol
Exact Mass206.19
IUPAC Nametris(2-aminoethylamino)methanol
SMILESNCCNC(O)(NCCN)NCCN
InChIInChI=1S/C7H22N6O/c8-1-4-11-7(14,12-5-2-9)13-6-3-10/h11-14H,1-6,8-10H2
InChIKeyOSNDWMCRDHQPAA-UHFFFAOYSA-N
XLogP-3.77
TPSA134.38 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.29
LogP ≤ 5-3.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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 tris(2-aminoethylamino)methanol?
The IUPAC name of tris(2-aminoethylamino)methanol (CID 87239432) is tris(2-aminoethylamino)methanol.
What is the SMILES notation for tris(2-aminoethylamino)methanol?
The canonical SMILES for tris(2-aminoethylamino)methanol is NCCNC(O)(NCCN)NCCN.
What is the InChIKey of tris(2-aminoethylamino)methanol?
The InChIKey is OSNDWMCRDHQPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H22N6O/c8-1-4-11-7(14,12-5-2-9)13-6-3-10/h11-14H,1-6,8-10H2.
What are the key properties of tris(2-aminoethylamino)methanol?
tris(2-aminoethylamino)methanol has a molecular weight of 206.29 g/mol, XLogP of -3.77, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-aminoethylamino)methanol is sourced from PubChem (CID 87239432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).