1-amino-3-methylbut-3-en-1-ol

C5H11NO — CID 118365669

IUPAC1-amino-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(N)O
InChIInChI=1S/C5H11NO/c1-4(2)3-5(6)7/h5,7H,1,3,6H2,2H3
InChIKeyUHGMDRGJKNUVKD-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.23
Rot. Bonds2

About 1-amino-3-methylbut-3-en-1-ol

1-amino-3-methylbut-3-en-1-ol (PubChem CID 118365669) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 1-amino-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-amino-3-methylbut-3-en-1-ol
PubChem CID118365669
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name1-amino-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(N)O
InChIInChI=1S/C5H11NO/c1-4(2)3-5(6)7/h5,7H,1,3,6H2,2H3
InChIKeyUHGMDRGJKNUVKD-UHFFFAOYSA-N
XLogP0.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 143762994
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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylbut-3-en-1-ol?
The IUPAC name of 1-amino-3-methylbut-3-en-1-ol (CID 118365669) is 1-amino-3-methylbut-3-en-1-ol.
What is the SMILES notation for 1-amino-3-methylbut-3-en-1-ol?
The canonical SMILES for 1-amino-3-methylbut-3-en-1-ol is C=C(C)CC(N)O.
What is the InChIKey of 1-amino-3-methylbut-3-en-1-ol?
The InChIKey is UHGMDRGJKNUVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h5,7H,1,3,6H2,2H3.
What are the key properties of 1-amino-3-methylbut-3-en-1-ol?
1-amino-3-methylbut-3-en-1-ol has a molecular weight of 101.15 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylbut-3-en-1-ol is sourced from PubChem (CID 118365669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).