1,3-bis(2-hydroxyethylamino)propan-2-ol

C7H18N2O3 — CID 3039236

IUPAC1,3-bis(2-hydroxyethylamino)propan-2-ol
SMILESOCCNCC(O)CNCCO
InChIInChI=1S/C7H18N2O3/c10-3-1-8-5-7(12)6-9-2-4-11/h7-12H,1-6H2
InChIKeyISNLINDNKXJLCY-UHFFFAOYSA-N
MW178.23 g/mol
LogP-2.49
Rot. Bonds8

About 1,3-bis(2-hydroxyethylamino)propan-2-ol

1,3-bis(2-hydroxyethylamino)propan-2-ol (PubChem CID 3039236) has the molecular formula C7H18N2O3 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethylamino)propan-2-ol
PubChem CID3039236
Molecular FormulaC7H18N2O3
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name1,3-bis(2-hydroxyethylamino)propan-2-ol
SMILESOCCNCC(O)CNCCO
InChIInChI=1S/C7H18N2O3/c10-3-1-8-5-7(12)6-9-2-4-11/h7-12H,1-6H2
InChIKeyISNLINDNKXJLCY-UHFFFAOYSA-N
XLogP-2.49
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-2.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethylamino)propan-2-ol?
The IUPAC name of 1,3-bis(2-hydroxyethylamino)propan-2-ol (CID 3039236) is 1,3-bis(2-hydroxyethylamino)propan-2-ol.
What is the SMILES notation for 1,3-bis(2-hydroxyethylamino)propan-2-ol?
The canonical SMILES for 1,3-bis(2-hydroxyethylamino)propan-2-ol is OCCNCC(O)CNCCO.
What is the InChIKey of 1,3-bis(2-hydroxyethylamino)propan-2-ol?
The InChIKey is ISNLINDNKXJLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3/c10-3-1-8-5-7(12)6-9-2-4-11/h7-12H,1-6H2.
What are the key properties of 1,3-bis(2-hydroxyethylamino)propan-2-ol?
1,3-bis(2-hydroxyethylamino)propan-2-ol has a molecular weight of 178.23 g/mol, XLogP of -2.49, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethylamino)propan-2-ol is sourced from PubChem (CID 3039236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).