2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol

C10H25N3O2 — CID 57110979

IUPAC2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol
SMILESCCNCCNCC(CO)(CO)NCC
InChIInChI=1S/C10H25N3O2/c1-3-11-5-6-12-7-10(8-14,9-15)13-4-2/h11-15H,3-9H2,1-2H3
InChIKeyVBSXTAFZXKMGEF-UHFFFAOYSA-N
MW219.33 g/mol
LogP-1.48
Rot. Bonds10

About 2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol

2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol (PubChem CID 57110979) has the molecular formula C10H25N3O2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol
PubChem CID57110979
Molecular FormulaC10H25N3O2
Molecular Weight219.33 g/mol
Exact Mass219.19
IUPAC Name2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol
SMILESCCNCCNCC(CO)(CO)NCC
InChIInChI=1S/C10H25N3O2/c1-3-11-5-6-12-7-10(8-14,9-15)13-4-2/h11-15H,3-9H2,1-2H3
InChIKeyVBSXTAFZXKMGEF-UHFFFAOYSA-N
XLogP-1.48
TPSA76.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 5-1.48
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 2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol?
The IUPAC name of 2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol (CID 57110979) is 2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol.
What is the SMILES notation for 2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol?
The canonical SMILES for 2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol is CCNCCNCC(CO)(CO)NCC.
What is the InChIKey of 2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol?
The InChIKey is VBSXTAFZXKMGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2/c1-3-11-5-6-12-7-10(8-14,9-15)13-4-2/h11-15H,3-9H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol?
2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol has a molecular weight of 219.33 g/mol, XLogP of -1.48, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-[[2-(ethylamino)ethylamino]methyl]propane-1,3-diol is sourced from PubChem (CID 57110979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).