N-butyl-N-propylcarbamoyl iodide

C8H16INO — CID 148632411

IUPACN-butyl-N-propylcarbamoyl iodide
SMILESCCCCN(CCC)C(=O)I
InChIInChI=1S/C8H16INO/c1-3-5-7-10(6-4-2)8(9)11/h3-7H2,1-2H3
InChIKeyNIKHGNHJPZCSHQ-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.05
Rot. Bonds5

About N-butyl-N-propylcarbamoyl iodide

N-butyl-N-propylcarbamoyl iodide (PubChem CID 148632411) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is N-butyl-N-propylcarbamoyl iodide.

Molecular Properties

Compound NameN-butyl-N-propylcarbamoyl iodide
PubChem CID148632411
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC NameN-butyl-N-propylcarbamoyl iodide
SMILESCCCCN(CCC)C(=O)I
InChIInChI=1S/C8H16INO/c1-3-5-7-10(6-4-2)8(9)11/h3-7H2,1-2H3
InChIKeyNIKHGNHJPZCSHQ-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-butyl-N-propylcarbamoyl iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propylcarbamoyl iodide?
The IUPAC name of N-butyl-N-propylcarbamoyl iodide (CID 148632411) is N-butyl-N-propylcarbamoyl iodide.
What is the SMILES notation for N-butyl-N-propylcarbamoyl iodide?
The canonical SMILES for N-butyl-N-propylcarbamoyl iodide is CCCCN(CCC)C(=O)I.
What is the InChIKey of N-butyl-N-propylcarbamoyl iodide?
The InChIKey is NIKHGNHJPZCSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-3-5-7-10(6-4-2)8(9)11/h3-7H2,1-2H3.
What are the key properties of N-butyl-N-propylcarbamoyl iodide?
N-butyl-N-propylcarbamoyl iodide has a molecular weight of 269.13 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propylcarbamoyl iodide is sourced from PubChem (CID 148632411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).