1-aminobutan-1-ol;1-(methylamino)ethanol

C7H20N2O2 — CID 157231135

IUPAC1-aminobutan-1-ol;1-(methylamino)ethanol
SMILESCCCC(N)O.CNC(C)O
InChIInChI=1S/C4H11NO.C3H9NO/c1-2-3-4(5)6;1-3(5)4-2/h4,6H,2-3,5H2,1H3;3-5H,1-2H3
InChIKeyAUCOOLVHMKXSNN-UHFFFAOYSA-N
MW164.25 g/mol
LogP-0.39
Rot. Bonds3

About 1-aminobutan-1-ol;1-(methylamino)ethanol

1-aminobutan-1-ol;1-(methylamino)ethanol (PubChem CID 157231135) has the molecular formula C7H20N2O2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-aminobutan-1-ol;1-(methylamino)ethanol.

Molecular Properties

Compound Name1-aminobutan-1-ol;1-(methylamino)ethanol
PubChem CID157231135
Molecular FormulaC7H20N2O2
Molecular Weight164.25 g/mol
Exact Mass164.15
IUPAC Name1-aminobutan-1-ol;1-(methylamino)ethanol
SMILESCCCC(N)O.CNC(C)O
InChIInChI=1S/C4H11NO.C3H9NO/c1-2-3-4(5)6;1-3(5)4-2/h4,6H,2-3,5H2,1H3;3-5H,1-2H3
InChIKeyAUCOOLVHMKXSNN-UHFFFAOYSA-N
XLogP-0.39
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-amino-4,5-dimethyloctan-1-ol
CID 88903955
acetyl fluoride;1-aminobutan-1-ol
CID 174904126
(2S)-pentan-2-amine
CID 6997344
1-(methylamino)ethanol;hydroiodide
CID 173051300
pentan-2-amine;propane
CID 166536368
(2S,3S)-2-aminohexan-3-ol
CID 55285025
(4R,5R)-octane-4,5-diamine
CID 13138963
(2R,3R)-2-N-methylheptane-2,3-diamine
CID 88890786
1-aminohexadecan-1-ol
CID 21475561
1-(methylamino)pentane-1,2-diol
CID 57263326
1-(methylamino)ethanol;propanoic acid
CID 173051443
(2R)-pentan-2-ol
CID 7014876

Frequently Asked Questions

What is the IUPAC name of 1-aminobutan-1-ol;1-(methylamino)ethanol?
The IUPAC name of 1-aminobutan-1-ol;1-(methylamino)ethanol (CID 157231135) is 1-aminobutan-1-ol;1-(methylamino)ethanol.
What is the SMILES notation for 1-aminobutan-1-ol;1-(methylamino)ethanol?
The canonical SMILES for 1-aminobutan-1-ol;1-(methylamino)ethanol is CCCC(N)O.CNC(C)O.
What is the InChIKey of 1-aminobutan-1-ol;1-(methylamino)ethanol?
The InChIKey is AUCOOLVHMKXSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3H9NO/c1-2-3-4(5)6;1-3(5)4-2/h4,6H,2-3,5H2,1H3;3-5H,1-2H3.
What are the key properties of 1-aminobutan-1-ol;1-(methylamino)ethanol?
1-aminobutan-1-ol;1-(methylamino)ethanol has a molecular weight of 164.25 g/mol, XLogP of -0.39, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobutan-1-ol;1-(methylamino)ethanol is sourced from PubChem (CID 157231135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).