2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine

C8H25N3O4 — CID 89043790

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine
SMILESCCNCO.CN.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C3H9NO.CH5N/c5-4(1-6,2-7)3-8;1-2-4-3-5;1-2/h6-8H,1-3,5H2;4-5H,2-3H2,1H3;2H2,1H3
InChIKeyZNBDJXFRVJCCEX-UHFFFAOYSA-N
MW227.30 g/mol
LogP-3.22
Rot. Bonds5

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine

2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine (PubChem CID 89043790) has the molecular formula C8H25N3O4 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine
PubChem CID89043790
Molecular FormulaC8H25N3O4
Molecular Weight227.30 g/mol
Exact Mass227.18
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine
SMILESCCNCO.CN.NC(CO)(CO)CO
InChIInChI=1S/C4H11NO3.C3H9NO.CH5N/c5-4(1-6,2-7)3-8;1-2-4-3-5;1-2/h6-8H,1-3,5H2;4-5H,2-3H2,1H3;2H2,1H3
InChIKeyZNBDJXFRVJCCEX-UHFFFAOYSA-N
XLogP-3.22
TPSA144.99 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.30
LogP ≤ 5-3.22
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 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine (CID 89043790) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine is CCNCO.CN.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine?
The InChIKey is ZNBDJXFRVJCCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.C3H9NO.CH5N/c5-4(1-6,2-7)3-8;1-2-4-3-5;1-2/h6-8H,1-3,5H2;4-5H,2-3H2,1H3;2H2,1H3.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine?
2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine has a molecular weight of 227.30 g/mol, XLogP of -3.22, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylaminomethanol;methanamine is sourced from PubChem (CID 89043790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).