2-aminoethanol

C14H49N7O7 — CID 159229127

IUPAC2-aminoethanol
SMILESNCCO.NCCO.NCCO.NCCO.NCCO.NCCO.NCCO
InChIInChI=1S/7C2H7NO/c7*3-1-2-4/h7*4H,1-3H2
InChIKeyKSRANJWENPDKPD-UHFFFAOYSA-N
MW427.59 g/mol
LogP-7.44
Rot. Bonds7

About 2-aminoethanol

2-aminoethanol (PubChem CID 159229127) has the molecular formula C14H49N7O7 and a molecular weight of 427.59 g/mol. Its IUPAC name is 2-aminoethanol.

Molecular Properties

Compound Name2-aminoethanol
PubChem CID159229127
Molecular FormulaC14H49N7O7
Molecular Weight427.59 g/mol
Exact Mass427.37
IUPAC Name2-aminoethanol
SMILESNCCO.NCCO.NCCO.NCCO.NCCO.NCCO.NCCO
InChIInChI=1S/7C2H7NO/c7*3-1-2-4/h7*4H,1-3H2
InChIKeyKSRANJWENPDKPD-UHFFFAOYSA-N
XLogP-7.44
TPSA323.75 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500427.59
LogP ≤ 5-7.44
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol?
The IUPAC name of 2-aminoethanol (CID 159229127) is 2-aminoethanol.
What is the SMILES notation for 2-aminoethanol?
The canonical SMILES for 2-aminoethanol is NCCO.NCCO.NCCO.NCCO.NCCO.NCCO.NCCO.
What is the InChIKey of 2-aminoethanol?
The InChIKey is KSRANJWENPDKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/7C2H7NO/c7*3-1-2-4/h7*4H,1-3H2.
What are the key properties of 2-aminoethanol?
2-aminoethanol has a molecular weight of 427.59 g/mol, XLogP of -7.44, 7 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol is sourced from PubChem (CID 159229127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).