amino-(2-aminoethylamino)methanol

C3H11N3O — CID 146878448

IUPACamino-(2-aminoethylamino)methanol
SMILESNCCNC(N)O
InChIInChI=1S/C3H11N3O/c4-1-2-6-3(5)7/h3,6-7H,1-2,4-5H2
InChIKeySRDYOEOHSCWKDH-UHFFFAOYSA-N
MW105.14 g/mol
LogP-2.23
Rot. Bonds3

About amino-(2-aminoethylamino)methanol

amino-(2-aminoethylamino)methanol (PubChem CID 146878448) has the molecular formula C3H11N3O and a molecular weight of 105.14 g/mol. Its IUPAC name is amino-(2-aminoethylamino)methanol.

Molecular Properties

Compound Nameamino-(2-aminoethylamino)methanol
PubChem CID146878448
Molecular FormulaC3H11N3O
Molecular Weight105.14 g/mol
Exact Mass105.09
IUPAC Nameamino-(2-aminoethylamino)methanol
SMILESNCCNC(N)O
InChIInChI=1S/C3H11N3O/c4-1-2-6-3(5)7/h3,6-7H,1-2,4-5H2
InChIKeySRDYOEOHSCWKDH-UHFFFAOYSA-N
XLogP-2.23
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 amino-(2-aminoethylamino)methanol?
The IUPAC name of amino-(2-aminoethylamino)methanol (CID 146878448) is amino-(2-aminoethylamino)methanol.
What is the SMILES notation for amino-(2-aminoethylamino)methanol?
The canonical SMILES for amino-(2-aminoethylamino)methanol is NCCNC(N)O.
What is the InChIKey of amino-(2-aminoethylamino)methanol?
The InChIKey is SRDYOEOHSCWKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O/c4-1-2-6-3(5)7/h3,6-7H,1-2,4-5H2.
What are the key properties of amino-(2-aminoethylamino)methanol?
amino-(2-aminoethylamino)methanol has a molecular weight of 105.14 g/mol, XLogP of -2.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-aminoethylamino)methanol is sourced from PubChem (CID 146878448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).