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

C8H17NO — CID 55222131

IUPAC2-[[(E)-but-2-enyl]amino]butan-1-ol
SMILESC/C=C/CNC(CC)CO
InChIInChI=1S/C8H17NO/c1-3-5-6-9-8(4-2)7-10/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+
InChIKeyHCPFYURFUTVKEW-HWKANZROSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds5

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

2-[[(E)-but-2-enyl]amino]butan-1-ol (PubChem CID 55222131) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]amino]butan-1-ol
PubChem CID55222131
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[[(E)-but-2-enyl]amino]butan-1-ol
SMILESC/C=C/CNC(CC)CO
InChIInChI=1S/C8H17NO/c1-3-5-6-9-8(4-2)7-10/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+
InChIKeyHCPFYURFUTVKEW-HWKANZROSA-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 2-[[(E)-but-2-enyl]amino]butan-1-ol?
The IUPAC name of 2-[[(E)-but-2-enyl]amino]butan-1-ol (CID 55222131) is 2-[[(E)-but-2-enyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[(E)-but-2-enyl]amino]butan-1-ol?
The canonical SMILES for 2-[[(E)-but-2-enyl]amino]butan-1-ol is C/C=C/CNC(CC)CO.
What is the InChIKey of 2-[[(E)-but-2-enyl]amino]butan-1-ol?
The InChIKey is HCPFYURFUTVKEW-HWKANZROSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-6-9-8(4-2)7-10/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 2-[[(E)-but-2-enyl]amino]butan-1-ol?
2-[[(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 2-[[(E)-but-2-enyl]amino]butan-1-ol is sourced from PubChem (CID 55222131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).