3-[[(E)-but-2-enyl]amino]butan-1-ol

C8H17NO — CID 107899197

IUPAC3-[[(E)-but-2-enyl]amino]butan-1-ol
SMILESC/C=C/CNC(C)CCO
InChIInChI=1S/C8H17NO/c1-3-4-6-9-8(2)5-7-10/h3-4,8-10H,5-7H2,1-2H3/b4-3+
InChIKeyRQJOKAFGOLMIND-ONEGZZNKSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds5

About 3-[[(E)-but-2-enyl]amino]butan-1-ol

3-[[(E)-but-2-enyl]amino]butan-1-ol (PubChem CID 107899197) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-[[(E)-but-2-enyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[(E)-but-2-enyl]amino]butan-1-ol
PubChem CID107899197
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-[[(E)-but-2-enyl]amino]butan-1-ol
SMILESC/C=C/CNC(C)CCO
InChIInChI=1S/C8H17NO/c1-3-4-6-9-8(2)5-7-10/h3-4,8-10H,5-7H2,1-2H3/b4-3+
InChIKeyRQJOKAFGOLMIND-ONEGZZNKSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-but-2-enyl]amino]butan-1-ol?
The IUPAC name of 3-[[(E)-but-2-enyl]amino]butan-1-ol (CID 107899197) is 3-[[(E)-but-2-enyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[(E)-but-2-enyl]amino]butan-1-ol?
The canonical SMILES for 3-[[(E)-but-2-enyl]amino]butan-1-ol is C/C=C/CNC(C)CCO.
What is the InChIKey of 3-[[(E)-but-2-enyl]amino]butan-1-ol?
The InChIKey is RQJOKAFGOLMIND-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-6-9-8(2)5-7-10/h3-4,8-10H,5-7H2,1-2H3/b4-3+.
What are the key properties of 3-[[(E)-but-2-enyl]amino]butan-1-ol?
3-[[(E)-but-2-enyl]amino]butan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-but-2-enyl]amino]butan-1-ol is sourced from PubChem (CID 107899197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).