1-aminobutan-2-ol;3-aminobutan-2-ol

C8H22N2O2 — CID 159145044

IUPAC1-aminobutan-2-ol;3-aminobutan-2-ol
SMILESCC(N)C(C)O.CCC(O)CN
InChIInChI=1S/2C4H11NO/c1-3(5)4(2)6;1-2-4(6)3-5/h3-4,6H,5H2,1-2H3;4,6H,2-3,5H2,1H3
InChIKeyKIONWDWDZVNYAH-UHFFFAOYSA-N
MW178.28 g/mol
LogP-0.57
Rot. Bonds3

About 1-aminobutan-2-ol;3-aminobutan-2-ol

1-aminobutan-2-ol;3-aminobutan-2-ol (PubChem CID 159145044) has the molecular formula C8H22N2O2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-aminobutan-2-ol;3-aminobutan-2-ol.

Molecular Properties

Compound Name1-aminobutan-2-ol;3-aminobutan-2-ol
PubChem CID159145044
Molecular FormulaC8H22N2O2
Molecular Weight178.28 g/mol
Exact Mass178.17
IUPAC Name1-aminobutan-2-ol;3-aminobutan-2-ol
SMILESCC(N)C(C)O.CCC(O)CN
InChIInChI=1S/2C4H11NO/c1-3(5)4(2)6;1-2-4(6)3-5/h3-4,6H,5H2,1-2H3;4,6H,2-3,5H2,1H3
InChIKeyKIONWDWDZVNYAH-UHFFFAOYSA-N
XLogP-0.57
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-aminobutan-2-ol;3-aminobutan-2-ol?
The IUPAC name of 1-aminobutan-2-ol;3-aminobutan-2-ol (CID 159145044) is 1-aminobutan-2-ol;3-aminobutan-2-ol.
What is the SMILES notation for 1-aminobutan-2-ol;3-aminobutan-2-ol?
The canonical SMILES for 1-aminobutan-2-ol;3-aminobutan-2-ol is CC(N)C(C)O.CCC(O)CN.
What is the InChIKey of 1-aminobutan-2-ol;3-aminobutan-2-ol?
The InChIKey is KIONWDWDZVNYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11NO/c1-3(5)4(2)6;1-2-4(6)3-5/h3-4,6H,5H2,1-2H3;4,6H,2-3,5H2,1H3.
What are the key properties of 1-aminobutan-2-ol;3-aminobutan-2-ol?
1-aminobutan-2-ol;3-aminobutan-2-ol has a molecular weight of 178.28 g/mol, XLogP of -0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobutan-2-ol;3-aminobutan-2-ol is sourced from PubChem (CID 159145044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).