1-methyl-3-pentylimidazolidin-1-ium

C9H21N2+ — CID 134844467

IUPAC1-methyl-3-pentylimidazolidin-1-ium
SMILESCCCCCN1CC[NH+](C)C1
InChIInChI=1S/C9H20N2/c1-3-4-5-6-11-8-7-10(2)9-11/h3-9H2,1-2H3/p+1
InChIKeyDFZGPZKHHXQXBI-UHFFFAOYSA-O
MW157.28 g/mol
LogP-0.04
Rot. Bonds4

About 1-methyl-3-pentylimidazolidin-1-ium

1-methyl-3-pentylimidazolidin-1-ium (PubChem CID 134844467) has the molecular formula C9H21N2+ and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-methyl-3-pentylimidazolidin-1-ium.

Molecular Properties

Compound Name1-methyl-3-pentylimidazolidin-1-ium
PubChem CID134844467
Molecular FormulaC9H21N2+
Molecular Weight157.28 g/mol
Exact Mass157.17
IUPAC Name1-methyl-3-pentylimidazolidin-1-ium
SMILESCCCCCN1CC[NH+](C)C1
InChIInChI=1S/C9H20N2/c1-3-4-5-6-11-8-7-10(2)9-11/h3-9H2,1-2H3/p+1
InChIKeyDFZGPZKHHXQXBI-UHFFFAOYSA-O
XLogP-0.04
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentylimidazolidin-1-ium?
The IUPAC name of 1-methyl-3-pentylimidazolidin-1-ium (CID 134844467) is 1-methyl-3-pentylimidazolidin-1-ium.
What is the SMILES notation for 1-methyl-3-pentylimidazolidin-1-ium?
The canonical SMILES for 1-methyl-3-pentylimidazolidin-1-ium is CCCCCN1CC[NH+](C)C1.
What is the InChIKey of 1-methyl-3-pentylimidazolidin-1-ium?
The InChIKey is DFZGPZKHHXQXBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H20N2/c1-3-4-5-6-11-8-7-10(2)9-11/h3-9H2,1-2H3/p+1.
What are the key properties of 1-methyl-3-pentylimidazolidin-1-ium?
1-methyl-3-pentylimidazolidin-1-ium has a molecular weight of 157.28 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentylimidazolidin-1-ium is sourced from PubChem (CID 134844467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).