N-butyl-3-iminobutanamide

C8H16N2O — CID 54455943

IUPACN-butyl-3-iminobutanamide
SMILES[H]/N=C(\C)CC(=O)NCCCC
InChIInChI=1S/C8H16N2O/c1-3-4-5-10-8(11)6-7(2)9/h9H,3-6H2,1-2H3,(H,10,11)/b9-7+
InChIKeyWYEXLCPLIYPNQU-VQHVLOKHSA-N
MW156.23 g/mol
LogP1.33
Rot. Bonds5

About N-butyl-3-iminobutanamide

N-butyl-3-iminobutanamide (PubChem CID 54455943) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-butyl-3-iminobutanamide.

Molecular Properties

Compound NameN-butyl-3-iminobutanamide
PubChem CID54455943
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-butyl-3-iminobutanamide
SMILES[H]/N=C(\C)CC(=O)NCCCC
InChIInChI=1S/C8H16N2O/c1-3-4-5-10-8(11)6-7(2)9/h9H,3-6H2,1-2H3,(H,10,11)/b9-7+
InChIKeyWYEXLCPLIYPNQU-VQHVLOKHSA-N
XLogP1.33
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-iminobutanamide?
The IUPAC name of N-butyl-3-iminobutanamide (CID 54455943) is N-butyl-3-iminobutanamide.
What is the SMILES notation for N-butyl-3-iminobutanamide?
The canonical SMILES for N-butyl-3-iminobutanamide is [H]/N=C(\C)CC(=O)NCCCC.
What is the InChIKey of N-butyl-3-iminobutanamide?
The InChIKey is WYEXLCPLIYPNQU-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-5-10-8(11)6-7(2)9/h9H,3-6H2,1-2H3,(H,10,11)/b9-7+.
What are the key properties of N-butyl-3-iminobutanamide?
N-butyl-3-iminobutanamide has a molecular weight of 156.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-iminobutanamide is sourced from PubChem (CID 54455943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).