N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine

C11H24N3+ — CID 23026347

IUPACN,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine
SMILESCCN(CC)C1=[N+](CC)CCN1CC
InChIInChI=1S/C11H24N3/c1-5-12(6-2)11-13(7-3)9-10-14(11)8-4/h5-10H2,1-4H3/q+1
InChIKeyVADONUVEBARQOU-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.05
Rot. Bonds4

About N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine

N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine (PubChem CID 23026347) has the molecular formula C11H24N3+ and a molecular weight of 198.33 g/mol. Its IUPAC name is N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine.

Molecular Properties

Compound NameN,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine
PubChem CID23026347
Molecular FormulaC11H24N3+
Molecular Weight198.33 g/mol
Exact Mass198.20
IUPAC NameN,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine
SMILESCCN(CC)C1=[N+](CC)CCN1CC
InChIInChI=1S/C11H24N3/c1-5-12(6-2)11-13(7-3)9-10-14(11)8-4/h5-10H2,1-4H3/q+1
InChIKeyVADONUVEBARQOU-UHFFFAOYSA-N
XLogP1.05
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.05
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,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine?
The IUPAC name of N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine (CID 23026347) is N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine.
What is the SMILES notation for N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine?
The canonical SMILES for N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine is CCN(CC)C1=[N+](CC)CCN1CC.
What is the InChIKey of N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine?
The InChIKey is VADONUVEBARQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N3/c1-5-12(6-2)11-13(7-3)9-10-14(11)8-4/h5-10H2,1-4H3/q+1.
What are the key properties of N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine?
N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine has a molecular weight of 198.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetraethyl-4,5-dihydroimidazol-1-ium-2-amine is sourced from PubChem (CID 23026347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).