2-aminoethanol;butan-1-ol

C6H17NO2 — CID 23216731

IUPAC2-aminoethanol;butan-1-ol
SMILESCCCCO.NCCO
InChIInChI=1S/C4H10O.C2H7NO/c1-2-3-4-5;3-1-2-4/h5H,2-4H2,1H3;4H,1-3H2
InChIKeyWKVDRPZFTFFYDE-UHFFFAOYSA-N
MW135.21 g/mol
LogP-0.28
Rot. Bonds3

About 2-aminoethanol;butan-1-ol

2-aminoethanol;butan-1-ol (PubChem CID 23216731) has the molecular formula C6H17NO2 and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-aminoethanol;butan-1-ol.

Molecular Properties

Compound Name2-aminoethanol;butan-1-ol
PubChem CID23216731
Molecular FormulaC6H17NO2
Molecular Weight135.21 g/mol
Exact Mass135.13
IUPAC Name2-aminoethanol;butan-1-ol
SMILESCCCCO.NCCO
InChIInChI=1S/C4H10O.C2H7NO/c1-2-3-4-5;3-1-2-4/h5H,2-4H2,1H3;4H,1-3H2
InChIKeyWKVDRPZFTFFYDE-UHFFFAOYSA-N
XLogP-0.28
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
dodecan-1-amine;hexan-1-ol
CID 90011077
butan-1-ol;nickel
CID 22477011
sodium butan-1-ol
CID 19366054
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;butan-1-ol?
The IUPAC name of 2-aminoethanol;butan-1-ol (CID 23216731) is 2-aminoethanol;butan-1-ol.
What is the SMILES notation for 2-aminoethanol;butan-1-ol?
The canonical SMILES for 2-aminoethanol;butan-1-ol is CCCCO.NCCO.
What is the InChIKey of 2-aminoethanol;butan-1-ol?
The InChIKey is WKVDRPZFTFFYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H7NO/c1-2-3-4-5;3-1-2-4/h5H,2-4H2,1H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;butan-1-ol?
2-aminoethanol;butan-1-ol has a molecular weight of 135.21 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;butan-1-ol is sourced from PubChem (CID 23216731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).