2-aminoethanol;butane-1,4-diol

C6H17NO3 — CID 135347340

IUPAC2-aminoethanol;butane-1,4-diol
SMILESNCCO.OCCCCO
InChIInChI=1S/C4H10O2.C2H7NO/c5-3-1-2-4-6;3-1-2-4/h5-6H,1-4H2;4H,1-3H2
InChIKeyNBAFWXAOIWUFLS-UHFFFAOYSA-N
MW151.21 g/mol
LogP-1.31
Rot. Bonds4

About 2-aminoethanol;butane-1,4-diol

2-aminoethanol;butane-1,4-diol (PubChem CID 135347340) has the molecular formula C6H17NO3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-aminoethanol;butane-1,4-diol.

Molecular Properties

Compound Name2-aminoethanol;butane-1,4-diol
PubChem CID135347340
Molecular FormulaC6H17NO3
Molecular Weight151.21 g/mol
Exact Mass151.12
IUPAC Name2-aminoethanol;butane-1,4-diol
SMILESNCCO.OCCCCO
InChIInChI=1S/C4H10O2.C2H7NO/c5-3-1-2-4-6;3-1-2-4/h5-6H,1-4H2;4H,1-3H2
InChIKeyNBAFWXAOIWUFLS-UHFFFAOYSA-N
XLogP-1.31
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-aminoethanol;butane-1,4-diol?
The IUPAC name of 2-aminoethanol;butane-1,4-diol (CID 135347340) is 2-aminoethanol;butane-1,4-diol.
What is the SMILES notation for 2-aminoethanol;butane-1,4-diol?
The canonical SMILES for 2-aminoethanol;butane-1,4-diol is NCCO.OCCCCO.
What is the InChIKey of 2-aminoethanol;butane-1,4-diol?
The InChIKey is NBAFWXAOIWUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C2H7NO/c5-3-1-2-4-6;3-1-2-4/h5-6H,1-4H2;4H,1-3H2.
What are the key properties of 2-aminoethanol;butane-1,4-diol?
2-aminoethanol;butane-1,4-diol has a molecular weight of 151.21 g/mol, XLogP of -1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;butane-1,4-diol is sourced from PubChem (CID 135347340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).