N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane

C8H18INO2 — CID 67174361

IUPACN,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane
SMILESCI.C[C@H]1OC[C@@H](CN(C)C)O1
InChIInChI=1S/C7H15NO2.CH3I/c1-6-9-5-7(10-6)4-8(2)3;1-2/h6-7H,4-5H2,1-3H3;1H3/t6-,7+;/m0./s1
InChIKeyJMCOFHMOTYNBOC-UOERWJHTSA-N
MW287.14 g/mol
LogP1.36
Rot. Bonds2

About N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane

N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane (PubChem CID 67174361) has the molecular formula C8H18INO2 and a molecular weight of 287.14 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane
PubChem CID67174361
Molecular FormulaC8H18INO2
Molecular Weight287.14 g/mol
Exact Mass287.04
IUPAC NameN,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane
SMILESCI.C[C@H]1OC[C@@H](CN(C)C)O1
InChIInChI=1S/C7H15NO2.CH3I/c1-6-9-5-7(10-6)4-8(2)3;1-2/h6-7H,4-5H2,1-3H3;1H3/t6-,7+;/m0./s1
InChIKeyJMCOFHMOTYNBOC-UOERWJHTSA-N
XLogP1.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane?
The IUPAC name of N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane (CID 67174361) is N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane.
What is the SMILES notation for N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane?
The canonical SMILES for N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane is CI.C[C@H]1OC[C@@H](CN(C)C)O1.
What is the InChIKey of N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane?
The InChIKey is JMCOFHMOTYNBOC-UOERWJHTSA-N. The full InChI is InChI=1S/C7H15NO2.CH3I/c1-6-9-5-7(10-6)4-8(2)3;1-2/h6-7H,4-5H2,1-3H3;1H3/t6-,7+;/m0./s1.
What are the key properties of N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane?
N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane has a molecular weight of 287.14 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methanamine;iodomethane is sourced from PubChem (CID 67174361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).