1-(2-aminoethylamino)-1-methoxyethanol

C5H14N2O2 — CID 151770425

IUPAC1-(2-aminoethylamino)-1-methoxyethanol
SMILESCOC(C)(O)NCCN
InChIInChI=1S/C5H14N2O2/c1-5(8,9-2)7-4-3-6/h7-8H,3-4,6H2,1-2H3
InChIKeyRSLSIARWLVNMQQ-UHFFFAOYSA-N
MW134.18 g/mol
LogP-1.15
Rot. Bonds4

About 1-(2-aminoethylamino)-1-methoxyethanol

1-(2-aminoethylamino)-1-methoxyethanol (PubChem CID 151770425) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-(2-aminoethylamino)-1-methoxyethanol.

Molecular Properties

Compound Name1-(2-aminoethylamino)-1-methoxyethanol
PubChem CID151770425
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Name1-(2-aminoethylamino)-1-methoxyethanol
SMILESCOC(C)(O)NCCN
InChIInChI=1S/C5H14N2O2/c1-5(8,9-2)7-4-3-6/h7-8H,3-4,6H2,1-2H3
InChIKeyRSLSIARWLVNMQQ-UHFFFAOYSA-N
XLogP-1.15
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
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 1-(2-aminoethylamino)-1-methoxyethanol?
The IUPAC name of 1-(2-aminoethylamino)-1-methoxyethanol (CID 151770425) is 1-(2-aminoethylamino)-1-methoxyethanol.
What is the SMILES notation for 1-(2-aminoethylamino)-1-methoxyethanol?
The canonical SMILES for 1-(2-aminoethylamino)-1-methoxyethanol is COC(C)(O)NCCN.
What is the InChIKey of 1-(2-aminoethylamino)-1-methoxyethanol?
The InChIKey is RSLSIARWLVNMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c1-5(8,9-2)7-4-3-6/h7-8H,3-4,6H2,1-2H3.
What are the key properties of 1-(2-aminoethylamino)-1-methoxyethanol?
1-(2-aminoethylamino)-1-methoxyethanol has a molecular weight of 134.18 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)-1-methoxyethanol is sourced from PubChem (CID 151770425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).