N-(iodomethyl)-N-methylethanamine

C4H10IN — CID 90317117

IUPACN-(iodomethyl)-N-methylethanamine
SMILESCCN(C)CI
InChIInChI=1S/C4H10IN/c1-3-6(2)4-5/h3-4H2,1-2H3
InChIKeyMFLPESWPGLXPPW-UHFFFAOYSA-N
MW199.03 g/mol
LogP1.33
Rot. Bonds2

About N-(iodomethyl)-N-methylethanamine

N-(iodomethyl)-N-methylethanamine (PubChem CID 90317117) has the molecular formula C4H10IN and a molecular weight of 199.03 g/mol. Its IUPAC name is N-(iodomethyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(iodomethyl)-N-methylethanamine
PubChem CID90317117
Molecular FormulaC4H10IN
Molecular Weight199.03 g/mol
Exact Mass198.99
IUPAC NameN-(iodomethyl)-N-methylethanamine
SMILESCCN(C)CI
InChIInChI=1S/C4H10IN/c1-3-6(2)4-5/h3-4H2,1-2H3
InChIKeyMFLPESWPGLXPPW-UHFFFAOYSA-N
XLogP1.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.03
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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)-N-methylethanamine?
The IUPAC name of N-(iodomethyl)-N-methylethanamine (CID 90317117) is N-(iodomethyl)-N-methylethanamine.
What is the SMILES notation for N-(iodomethyl)-N-methylethanamine?
The canonical SMILES for N-(iodomethyl)-N-methylethanamine is CCN(C)CI.
What is the InChIKey of N-(iodomethyl)-N-methylethanamine?
The InChIKey is MFLPESWPGLXPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10IN/c1-3-6(2)4-5/h3-4H2,1-2H3.
What are the key properties of N-(iodomethyl)-N-methylethanamine?
N-(iodomethyl)-N-methylethanamine has a molecular weight of 199.03 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)-N-methylethanamine is sourced from PubChem (CID 90317117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).