2-amino-N-[(E)-but-2-enyl]-N-butylacetamide

C10H20N2O — CID 134892588

IUPAC2-amino-N-[(E)-but-2-enyl]-N-butylacetamide
SMILESC/C=C/CN(CCCC)C(=O)CN
InChIInChI=1S/C10H20N2O/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3,5H,4,6-9,11H2,1-2H3/b5-3+
InChIKeyRXWUJVSCKPMXSR-HWKANZROSA-N
MW184.28 g/mol
LogP1.15
Rot. Bonds6

About 2-amino-N-[(E)-but-2-enyl]-N-butylacetamide

2-amino-N-[(E)-but-2-enyl]-N-butylacetamide (PubChem CID 134892588) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-amino-N-[(E)-but-2-enyl]-N-butylacetamide.

Molecular Properties

Compound Name2-amino-N-[(E)-but-2-enyl]-N-butylacetamide
PubChem CID134892588
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-amino-N-[(E)-but-2-enyl]-N-butylacetamide
SMILESC/C=C/CN(CCCC)C(=O)CN
InChIInChI=1S/C10H20N2O/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3,5H,4,6-9,11H2,1-2H3/b5-3+
InChIKeyRXWUJVSCKPMXSR-HWKANZROSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
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-amino-N-[(E)-but-2-enyl]-N-butylacetamide?
The IUPAC name of 2-amino-N-[(E)-but-2-enyl]-N-butylacetamide (CID 134892588) is 2-amino-N-[(E)-but-2-enyl]-N-butylacetamide.
What is the SMILES notation for 2-amino-N-[(E)-but-2-enyl]-N-butylacetamide?
The canonical SMILES for 2-amino-N-[(E)-but-2-enyl]-N-butylacetamide is C/C=C/CN(CCCC)C(=O)CN.
What is the InChIKey of 2-amino-N-[(E)-but-2-enyl]-N-butylacetamide?
The InChIKey is RXWUJVSCKPMXSR-HWKANZROSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3,5H,4,6-9,11H2,1-2H3/b5-3+.
What are the key properties of 2-amino-N-[(E)-but-2-enyl]-N-butylacetamide?
2-amino-N-[(E)-but-2-enyl]-N-butylacetamide has a molecular weight of 184.28 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-but-2-enyl]-N-butylacetamide is sourced from PubChem (CID 134892588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).