iodomethane;methanamine;propan-2-ol;hydrochloride

C5H17ClINO — CID 175456006

IUPACiodomethane;methanamine;propan-2-ol;hydrochloride
SMILESCC(C)O.CI.CN.Cl
InChIInChI=1S/C3H8O.CH3I.CH5N.ClH/c1-3(2)4;2*1-2;/h3-4H,1-2H3;1H3;2H2,1H3;1H
InChIKeyDBCYALATGDURIU-UHFFFAOYSA-N
MW269.55 g/mol
LogP1.43
Rot. Bonds

About iodomethane;methanamine;propan-2-ol;hydrochloride

iodomethane;methanamine;propan-2-ol;hydrochloride (PubChem CID 175456006) has the molecular formula C5H17ClINO and a molecular weight of 269.55 g/mol. Its IUPAC name is iodomethane;methanamine;propan-2-ol;hydrochloride.

Molecular Properties

Compound Nameiodomethane;methanamine;propan-2-ol;hydrochloride
PubChem CID175456006
Molecular FormulaC5H17ClINO
Molecular Weight269.55 g/mol
Exact Mass269.00
IUPAC Nameiodomethane;methanamine;propan-2-ol;hydrochloride
SMILESCC(C)O.CI.CN.Cl
InChIInChI=1S/C3H8O.CH3I.CH5N.ClH/c1-3(2)4;2*1-2;/h3-4H,1-2H3;1H3;2H2,1H3;1H
InChIKeyDBCYALATGDURIU-UHFFFAOYSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.55
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 88500405
bis(propan-2-ol);titanium;hydrochloride
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CID 22024851
propan-2-ol;dihydrate;trihydrochloride
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propan-2-ol;vanadium;hydrate;dihydrochloride
CID 171375749
magnesium;hydride;propan-2-ol;hydrochloride
CID 173490258
tetrakis(propan-2-ol);samarium
CID 175326578
Indium(III) isopropoxide
CID 159258374
erbium;propan-2-ol
CID 160843836
CID 85354423
CID 85354423
propan-2-ol;titanium
CID 25200171
CID 131857540
CID 131857540

Frequently Asked Questions

What is the IUPAC name of iodomethane;methanamine;propan-2-ol;hydrochloride?
The IUPAC name of iodomethane;methanamine;propan-2-ol;hydrochloride (CID 175456006) is iodomethane;methanamine;propan-2-ol;hydrochloride.
What is the SMILES notation for iodomethane;methanamine;propan-2-ol;hydrochloride?
The canonical SMILES for iodomethane;methanamine;propan-2-ol;hydrochloride is CC(C)O.CI.CN.Cl.
What is the InChIKey of iodomethane;methanamine;propan-2-ol;hydrochloride?
The InChIKey is DBCYALATGDURIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.CH3I.CH5N.ClH/c1-3(2)4;2*1-2;/h3-4H,1-2H3;1H3;2H2,1H3;1H.
What are the key properties of iodomethane;methanamine;propan-2-ol;hydrochloride?
iodomethane;methanamine;propan-2-ol;hydrochloride has a molecular weight of 269.55 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;methanamine;propan-2-ol;hydrochloride is sourced from PubChem (CID 175456006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).