N-methyl-N-(3-methylbutyl)carbamoyl iodide

C7H14INO — CID 118884575

IUPACN-methyl-N-(3-methylbutyl)carbamoyl iodide
SMILESCC(C)CCN(C)C(=O)I
InChIInChI=1S/C7H14INO/c1-6(2)4-5-9(3)7(8)10/h6H,4-5H2,1-3H3
InChIKeyAEMINVNBCHYJPO-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.52
Rot. Bonds3

About N-methyl-N-(3-methylbutyl)carbamoyl iodide

N-methyl-N-(3-methylbutyl)carbamoyl iodide (PubChem CID 118884575) has the molecular formula C7H14INO and a molecular weight of 255.10 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)carbamoyl iodide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)carbamoyl iodide
PubChem CID118884575
Molecular FormulaC7H14INO
Molecular Weight255.10 g/mol
Exact Mass255.01
IUPAC NameN-methyl-N-(3-methylbutyl)carbamoyl iodide
SMILESCC(C)CCN(C)C(=O)I
InChIInChI=1S/C7H14INO/c1-6(2)4-5-9(3)7(8)10/h6H,4-5H2,1-3H3
InChIKeyAEMINVNBCHYJPO-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)carbamoyl iodide?
The IUPAC name of N-methyl-N-(3-methylbutyl)carbamoyl iodide (CID 118884575) is N-methyl-N-(3-methylbutyl)carbamoyl iodide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)carbamoyl iodide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)carbamoyl iodide is CC(C)CCN(C)C(=O)I.
What is the InChIKey of N-methyl-N-(3-methylbutyl)carbamoyl iodide?
The InChIKey is AEMINVNBCHYJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14INO/c1-6(2)4-5-9(3)7(8)10/h6H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylbutyl)carbamoyl iodide?
N-methyl-N-(3-methylbutyl)carbamoyl iodide has a molecular weight of 255.10 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)carbamoyl iodide is sourced from PubChem (CID 118884575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).