2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine

C6H19N3O3 — CID 22118202

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine
SMILESNC(CO)(CO)CO.NCCN
InChIInChI=1S/C4H11NO3.C2H8N2/c5-4(1-6,2-7)3-8;3-1-2-4/h6-8H,1-3,5H2;1-4H2
InChIKeyMSUVQXUMILHZNY-UHFFFAOYSA-N
MW181.24 g/mol
LogP-3.44
Rot. Bonds4

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine

2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine (PubChem CID 22118202) has the molecular formula C6H19N3O3 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine
PubChem CID22118202
Molecular FormulaC6H19N3O3
Molecular Weight181.24 g/mol
Exact Mass181.14
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine
SMILESNC(CO)(CO)CO.NCCN
InChIInChI=1S/C4H11NO3.C2H8N2/c5-4(1-6,2-7)3-8;3-1-2-4/h6-8H,1-3,5H2;1-4H2
InChIKeyMSUVQXUMILHZNY-UHFFFAOYSA-N
XLogP-3.44
TPSA138.75 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500181.24
LogP ≤ 5-3.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

CID 87493832
CID 87493832
2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride
CID 19084655
lithium;2-amino-2-(hydroxymethyl)propane-1,3-diol;hydride
CID 173034607
tetrakis(2-aminoacetic acid);2-amino-2-(hydroxymethyl)propane-1,3-diol
CID 157174364
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(methoxymethoxy)ethanamine
CID 87326761
2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride
CID 175534832
2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine
CID 88625079
2-amino-2-(16-aminohexadecyl)propane-1,3-diol
CID 89415252
2-amino-2-(hydroxymethyl)propane-1,3-diol;ethylhydrazine
CID 88536885
2-amino-2-(hydroxymethyl)propane-1,3-diol;azane;1-iodoethanol
CID 87720524
2-amino-2-(hydroxymethyl)propane-1,3-diol;trifluoromethanesulfonic acid
CID 146318678
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-methoxyethoxysilane
CID 173037815

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine (CID 22118202) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine is NC(CO)(CO)CO.NCCN.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine?
The InChIKey is MSUVQXUMILHZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.C2H8N2/c5-4(1-6,2-7)3-8;3-1-2-4/h6-8H,1-3,5H2;1-4H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine?
2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine has a molecular weight of 181.24 g/mol, XLogP of -3.44, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine is sourced from PubChem (CID 22118202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).