1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium

C13H29N2+ — CID 91614485

IUPAC1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium
SMILESCCCCC[N+]1(C)C(C)C(C)N(C)C1C
InChIInChI=1S/C13H29N2/c1-7-8-9-10-15(6)12(3)11(2)14(5)13(15)4/h11-13H,7-10H2,1-6H3/q+1
InChIKeyHXZGTUABBHHEHJ-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.69
Rot. Bonds4

About 1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium

1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium (PubChem CID 91614485) has the molecular formula C13H29N2+ and a molecular weight of 213.39 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium
PubChem CID91614485
Molecular FormulaC13H29N2+
Molecular Weight213.39 g/mol
Exact Mass213.23
IUPAC Name1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium
SMILESCCCCC[N+]1(C)C(C)C(C)N(C)C1C
InChIInChI=1S/C13H29N2/c1-7-8-9-10-15(6)12(3)11(2)14(5)13(15)4/h11-13H,7-10H2,1-6H3/q+1
InChIKeyHXZGTUABBHHEHJ-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium?
The IUPAC name of 1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium (CID 91614485) is 1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium?
The canonical SMILES for 1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium is CCCCC[N+]1(C)C(C)C(C)N(C)C1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium?
The InChIKey is HXZGTUABBHHEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N2/c1-7-8-9-10-15(6)12(3)11(2)14(5)13(15)4/h11-13H,7-10H2,1-6H3/q+1.
What are the key properties of 1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium?
1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium has a molecular weight of 213.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-1-pentylimidazolidin-1-ium is sourced from PubChem (CID 91614485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).