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

C13H28N3+ — CID 23026358

IUPACN,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine
SMILESCCC1C[N+](CC)=C(N(CC)CC)N1CC
InChIInChI=1S/C13H28N3/c1-6-12-11-15(9-4)13(16(12)10-5)14(7-2)8-3/h12H,6-11H2,1-5H3/q+1
InChIKeyPFDDHUIJZIZURF-UHFFFAOYSA-N
MW226.39 g/mol
LogP1.83
Rot. Bonds5

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

N,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine (PubChem CID 23026358) has the molecular formula C13H28N3+ and a molecular weight of 226.39 g/mol. Its IUPAC name is N,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine.

Molecular Properties

Compound NameN,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine
PubChem CID23026358
Molecular FormulaC13H28N3+
Molecular Weight226.39 g/mol
Exact Mass226.23
IUPAC NameN,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine
SMILESCCC1C[N+](CC)=C(N(CC)CC)N1CC
InChIInChI=1S/C13H28N3/c1-6-12-11-15(9-4)13(16(12)10-5)14(7-2)8-3/h12H,6-11H2,1-5H3/q+1
InChIKeyPFDDHUIJZIZURF-UHFFFAOYSA-N
XLogP1.83
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 51.83
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,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine?
The IUPAC name of N,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine (CID 23026358) is N,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine.
What is the SMILES notation for N,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine?
The canonical SMILES for N,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine is CCC1C[N+](CC)=C(N(CC)CC)N1CC.
What is the InChIKey of N,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine?
The InChIKey is PFDDHUIJZIZURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N3/c1-6-12-11-15(9-4)13(16(12)10-5)14(7-2)8-3/h12H,6-11H2,1-5H3/q+1.
What are the key properties of N,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine?
N,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine has a molecular weight of 226.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3,4-pentaethyl-4,5-dihydroimidazol-1-ium-2-amine is sourced from PubChem (CID 23026358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).