1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol

C13H26N2O3 — CID 87785629

IUPAC1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CCO)CC(O)CN(CC=C)CCO
InChIInChI=1S/C13H26N2O3/c1-3-5-14(7-9-16)11-13(18)12-15(6-4-2)8-10-17/h3-4,13,16-18H,1-2,5-12H2
InChIKeyRCFQUKUKDIMQPC-UHFFFAOYSA-N
MW258.36 g/mol
LogP-0.69
Rot. Bonds12

About 1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol

1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol (PubChem CID 87785629) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
PubChem CID87785629
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CCO)CC(O)CN(CC=C)CCO
InChIInChI=1S/C13H26N2O3/c1-3-5-14(7-9-16)11-13(18)12-15(6-4-2)8-10-17/h3-4,13,16-18H,1-2,5-12H2
InChIKeyRCFQUKUKDIMQPC-UHFFFAOYSA-N
XLogP-0.69
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
The IUPAC name of 1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol (CID 87785629) is 1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol.
What is the SMILES notation for 1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
The canonical SMILES for 1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol is C=CCN(CCO)CC(O)CN(CC=C)CCO.
What is the InChIKey of 1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
The InChIKey is RCFQUKUKDIMQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-5-14(7-9-16)11-13(18)12-15(6-4-2)8-10-17/h3-4,13,16-18H,1-2,5-12H2.
What are the key properties of 1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol has a molecular weight of 258.36 g/mol, XLogP of -0.69, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol is sourced from PubChem (CID 87785629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).