N-methyl-4-propyliminobutanamide

C8H16N2O — CID 90248825

IUPACN-methyl-4-propyliminobutanamide
SMILESCCC/N=C/CCC(=O)NC
InChIInChI=1S/C8H16N2O/c1-3-6-10-7-4-5-8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11)/b10-7+
InChIKeyYUUUECKCCJUJQY-JXMROGBWSA-N
MW156.23 g/mol
LogP0.99
Rot. Bonds5

About N-methyl-4-propyliminobutanamide

N-methyl-4-propyliminobutanamide (PubChem CID 90248825) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-methyl-4-propyliminobutanamide.

Molecular Properties

Compound NameN-methyl-4-propyliminobutanamide
PubChem CID90248825
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-methyl-4-propyliminobutanamide
SMILESCCC/N=C/CCC(=O)NC
InChIInChI=1S/C8H16N2O/c1-3-6-10-7-4-5-8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11)/b10-7+
InChIKeyYUUUECKCCJUJQY-JXMROGBWSA-N
XLogP0.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propyliminobutanamide?
The IUPAC name of N-methyl-4-propyliminobutanamide (CID 90248825) is N-methyl-4-propyliminobutanamide.
What is the SMILES notation for N-methyl-4-propyliminobutanamide?
The canonical SMILES for N-methyl-4-propyliminobutanamide is CCC/N=C/CCC(=O)NC.
What is the InChIKey of N-methyl-4-propyliminobutanamide?
The InChIKey is YUUUECKCCJUJQY-JXMROGBWSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-6-10-7-4-5-8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11)/b10-7+.
What are the key properties of N-methyl-4-propyliminobutanamide?
N-methyl-4-propyliminobutanamide has a molecular weight of 156.23 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propyliminobutanamide is sourced from PubChem (CID 90248825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).