N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide

C11H20N3O+ — CID 43571462

IUPACN,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide
SMILESCCC(CC)N(C)C(=O)n1cc[n+](C)c1
InChIInChI=1S/C11H20N3O/c1-5-10(6-2)13(4)11(15)14-8-7-12(3)9-14/h7-10H,5-6H2,1-4H3/q+1
InChIKeyVZIYZSJUHYENMF-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.40
Rot. Bonds3

About N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide

N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide (PubChem CID 43571462) has the molecular formula C11H20N3O+ and a molecular weight of 210.30 g/mol. Its IUPAC name is N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide
PubChem CID43571462
Molecular FormulaC11H20N3O+
Molecular Weight210.30 g/mol
Exact Mass210.16
IUPAC NameN,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide
SMILESCCC(CC)N(C)C(=O)n1cc[n+](C)c1
InChIInChI=1S/C11H20N3O/c1-5-10(6-2)13(4)11(15)14-8-7-12(3)9-14/h7-10H,5-6H2,1-4H3/q+1
InChIKeyVZIYZSJUHYENMF-UHFFFAOYSA-N
XLogP1.40
TPSA29.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide?
The IUPAC name of N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide (CID 43571462) is N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide?
The canonical SMILES for N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide is CCC(CC)N(C)C(=O)n1cc[n+](C)c1.
What is the InChIKey of N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide?
The InChIKey is VZIYZSJUHYENMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3O/c1-5-10(6-2)13(4)11(15)14-8-7-12(3)9-14/h7-10H,5-6H2,1-4H3/q+1.
What are the key properties of N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide?
N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide has a molecular weight of 210.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-pentan-3-ylimidazol-3-ium-1-carboxamide is sourced from PubChem (CID 43571462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).