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

C13H26N2O3 — CID 87802517

IUPAC1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CCO)C(C(C)O)N(CC=C)CCO
InChIInChI=1S/C13H26N2O3/c1-4-6-14(8-10-16)13(12(3)18)15(7-5-2)9-11-17/h4-5,12-13,16-18H,1-2,6-11H2,3H3
InChIKeyRGXHDRZVZMIJAX-UHFFFAOYSA-N
MW258.36 g/mol
LogP-0.35
Rot. Bonds11

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

1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol (PubChem CID 87802517) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
PubChem CID87802517
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
SMILESC=CCN(CCO)C(C(C)O)N(CC=C)CCO
InChIInChI=1S/C13H26N2O3/c1-4-6-14(8-10-16)13(12(3)18)15(7-5-2)9-11-17/h4-5,12-13,16-18H,1-2,6-11H2,3H3
InChIKeyRGXHDRZVZMIJAX-UHFFFAOYSA-N
XLogP-0.35
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
The IUPAC name of 1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol (CID 87802517) is 1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol.
What is the SMILES notation for 1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
The canonical SMILES for 1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol is C=CCN(CCO)C(C(C)O)N(CC=C)CCO.
What is the InChIKey of 1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
The InChIKey is RGXHDRZVZMIJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-6-14(8-10-16)13(12(3)18)15(7-5-2)9-11-17/h4-5,12-13,16-18H,1-2,6-11H2,3H3.
What are the key properties of 1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol?
1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol has a molecular weight of 258.36 g/mol, XLogP of -0.35, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol is sourced from PubChem (CID 87802517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).