N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine

C5H11INO2- — CID 163448720

IUPACN-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine
SMILESCOC(C)(C)N([O-])CI
InChIInChI=1S/C5H11INO2/c1-5(2,9-3)7(8)4-6/h4H2,1-3H3/q-1
InChIKeyZZVPMDCVBJZFDT-UHFFFAOYSA-N
MW244.05 g/mol
LogP1.56
Rot. Bonds3

About N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine

N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine (PubChem CID 163448720) has the molecular formula C5H11INO2- and a molecular weight of 244.05 g/mol. Its IUPAC name is N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine.

Molecular Properties

Compound NameN-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine
PubChem CID163448720
Molecular FormulaC5H11INO2-
Molecular Weight244.05 g/mol
Exact Mass243.98
IUPAC NameN-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine
SMILESCOC(C)(C)N([O-])CI
InChIInChI=1S/C5H11INO2/c1-5(2,9-3)7(8)4-6/h4H2,1-3H3/q-1
InChIKeyZZVPMDCVBJZFDT-UHFFFAOYSA-N
XLogP1.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.05
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane
CID 14789976
2-methoxy-N-methyl-N-[methyl(oxido)amino]oxypropan-2-amine
CID 163495645
N-[2-[hydroxy(oxido)amino]-1-methoxypropan-2-yl]-N-oxidohydroxylamine
CID 89155720
1-iodo-3-methoxy-3-methylbutane
CID 22236489
N-(2-methoxypropan-2-yl)-N-oxidoaniline
CID 163944848
2-(2-iodoethoxy)-2-methoxypropane
CID 19858315
N-chloro-2-methoxy-N,2-dimethylpropan-1-amine
CID 152926276
N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide
CID 163495644
1-methoxy-N,N,2-trimethylbutan-2-amine
CID 162379488
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
1-methoxy-2,2-dimethylpropane
CID 160639316
1-methoxy-N-(1-methoxy-2-methylpropan-2-yl)-N,2-dimethylpropan-2-amine
CID 169191834

Frequently Asked Questions

What is the IUPAC name of N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine?
The IUPAC name of N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine (CID 163448720) is N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine.
What is the SMILES notation for N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine?
The canonical SMILES for N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine is COC(C)(C)N([O-])CI.
What is the InChIKey of N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine?
The InChIKey is ZZVPMDCVBJZFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11INO2/c1-5(2,9-3)7(8)4-6/h4H2,1-3H3/q-1.
What are the key properties of N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine?
N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine has a molecular weight of 244.05 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)-2-methoxy-N-oxidopropan-2-amine is sourced from PubChem (CID 163448720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).