N-(iodomethyl)-2-methyliodanuidylethanamine

C4H10I2N- — CID 147122157

IUPACN-(iodomethyl)-2-methyliodanuidylethanamine
SMILESC[I-]CCNCI
InChIInChI=1S/C4H10I2N/c1-6-2-3-7-4-5/h7H,2-4H2,1H3/q-1
InChIKeyWZWJNEHAIMIAOC-UHFFFAOYSA-N
MW325.94 g/mol
LogP-2.31
Rot. Bonds4

About N-(iodomethyl)-2-methyliodanuidylethanamine

N-(iodomethyl)-2-methyliodanuidylethanamine (PubChem CID 147122157) has the molecular formula C4H10I2N- and a molecular weight of 325.94 g/mol. Its IUPAC name is N-(iodomethyl)-2-methyliodanuidylethanamine.

Molecular Properties

Compound NameN-(iodomethyl)-2-methyliodanuidylethanamine
PubChem CID147122157
Molecular FormulaC4H10I2N-
Molecular Weight325.94 g/mol
Exact Mass325.89
IUPAC NameN-(iodomethyl)-2-methyliodanuidylethanamine
SMILESC[I-]CCNCI
InChIInChI=1S/C4H10I2N/c1-6-2-3-7-4-5/h7H,2-4H2,1H3/q-1
InChIKeyWZWJNEHAIMIAOC-UHFFFAOYSA-N
XLogP-2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.94
LogP ≤ 5-2.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_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-(iodomethyl)-2-methyliodanuidylethanamine?
The IUPAC name of N-(iodomethyl)-2-methyliodanuidylethanamine (CID 147122157) is N-(iodomethyl)-2-methyliodanuidylethanamine.
What is the SMILES notation for N-(iodomethyl)-2-methyliodanuidylethanamine?
The canonical SMILES for N-(iodomethyl)-2-methyliodanuidylethanamine is C[I-]CCNCI.
What is the InChIKey of N-(iodomethyl)-2-methyliodanuidylethanamine?
The InChIKey is WZWJNEHAIMIAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10I2N/c1-6-2-3-7-4-5/h7H,2-4H2,1H3/q-1.
What are the key properties of N-(iodomethyl)-2-methyliodanuidylethanamine?
N-(iodomethyl)-2-methyliodanuidylethanamine has a molecular weight of 325.94 g/mol, XLogP of -2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)-2-methyliodanuidylethanamine is sourced from PubChem (CID 147122157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).