[ethyl(propyl)amino]methanetriol

C6H15NO3 — CID 169119513

IUPAC[ethyl(propyl)amino]methanetriol
SMILESCCCN(CC)C(O)(O)O
InChIInChI=1S/C6H15NO3/c1-3-5-7(4-2)6(8,9)10/h8-10H,3-5H2,1-2H3
InChIKeyHBFPCFQIUOKHSB-UHFFFAOYSA-N
MW149.19 g/mol
LogP-0.69
Rot. Bonds4

About [ethyl(propyl)amino]methanetriol

[ethyl(propyl)amino]methanetriol (PubChem CID 169119513) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is [ethyl(propyl)amino]methanetriol.

Molecular Properties

Compound Name[ethyl(propyl)amino]methanetriol
PubChem CID169119513
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name[ethyl(propyl)amino]methanetriol
SMILESCCCN(CC)C(O)(O)O
InChIInChI=1S/C6H15NO3/c1-3-5-7(4-2)6(8,9)10/h8-10H,3-5H2,1-2H3
InChIKeyHBFPCFQIUOKHSB-UHFFFAOYSA-N
XLogP-0.69
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.69
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 [ethyl(propyl)amino]methanetriol?
The IUPAC name of [ethyl(propyl)amino]methanetriol (CID 169119513) is [ethyl(propyl)amino]methanetriol.
What is the SMILES notation for [ethyl(propyl)amino]methanetriol?
The canonical SMILES for [ethyl(propyl)amino]methanetriol is CCCN(CC)C(O)(O)O.
What is the InChIKey of [ethyl(propyl)amino]methanetriol?
The InChIKey is HBFPCFQIUOKHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-3-5-7(4-2)6(8,9)10/h8-10H,3-5H2,1-2H3.
What are the key properties of [ethyl(propyl)amino]methanetriol?
[ethyl(propyl)amino]methanetriol has a molecular weight of 149.19 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(propyl)amino]methanetriol is sourced from PubChem (CID 169119513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).