1-ethyl-3-methylimidazolidine;phosphane;bromide

C6H17BrN2P- — CID 167699735

IUPAC1-ethyl-3-methylimidazolidine;phosphane;bromide
SMILESCCN1CCN(C)C1.P.[Br-]
InChIInChI=1S/C6H14N2.BrH.H3P/c1-3-8-5-4-7(2)6-8;;/h3-6H2,1-2H3;1H;1H3/p-1
InChIKeyHAKUDMXNWSUVHD-UHFFFAOYSA-M
MW228.09 g/mol
LogP-2.73
Rot. Bonds1

About 1-ethyl-3-methylimidazolidine;phosphane;bromide

1-ethyl-3-methylimidazolidine;phosphane;bromide (PubChem CID 167699735) has the molecular formula C6H17BrN2P- and a molecular weight of 228.09 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazolidine;phosphane;bromide.

Molecular Properties

Compound Name1-ethyl-3-methylimidazolidine;phosphane;bromide
PubChem CID167699735
Molecular FormulaC6H17BrN2P-
Molecular Weight228.09 g/mol
Exact Mass227.03
IUPAC Name1-ethyl-3-methylimidazolidine;phosphane;bromide
SMILESCCN1CCN(C)C1.P.[Br-]
InChIInChI=1S/C6H14N2.BrH.H3P/c1-3-8-5-4-7(2)6-8;;/h3-6H2,1-2H3;1H;1H3/p-1
InChIKeyHAKUDMXNWSUVHD-UHFFFAOYSA-M
XLogP-2.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 5-2.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-methyl-3-octadecylimidazolidine;hydrobromide
CID 173194742
1-ethyl-3-iodoimidazolidine
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1,4-diethylpiperazine;sulfane
CID 177062456

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylimidazolidine;phosphane;bromide?
The IUPAC name of 1-ethyl-3-methylimidazolidine;phosphane;bromide (CID 167699735) is 1-ethyl-3-methylimidazolidine;phosphane;bromide.
What is the SMILES notation for 1-ethyl-3-methylimidazolidine;phosphane;bromide?
The canonical SMILES for 1-ethyl-3-methylimidazolidine;phosphane;bromide is CCN1CCN(C)C1.P.[Br-].
What is the InChIKey of 1-ethyl-3-methylimidazolidine;phosphane;bromide?
The InChIKey is HAKUDMXNWSUVHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2.BrH.H3P/c1-3-8-5-4-7(2)6-8;;/h3-6H2,1-2H3;1H;1H3/p-1.
What are the key properties of 1-ethyl-3-methylimidazolidine;phosphane;bromide?
1-ethyl-3-methylimidazolidine;phosphane;bromide has a molecular weight of 228.09 g/mol, XLogP of -2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazolidine;phosphane;bromide is sourced from PubChem (CID 167699735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).