N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine

C8H18N3+ — CID 19358913

IUPACN-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine
SMILESCCNCCN1C=[N+](C)CC1
InChIInChI=1S/C8H18N3/c1-3-9-4-5-11-7-6-10(2)8-11/h8-9H,3-7H2,1-2H3/q+1
InChIKeyDEYUKMZMAWGGHT-UHFFFAOYSA-N
MW156.25 g/mol
LogP-0.42
Rot. Bonds4

About N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine

N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine (PubChem CID 19358913) has the molecular formula C8H18N3+ and a molecular weight of 156.25 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine
PubChem CID19358913
Molecular FormulaC8H18N3+
Molecular Weight156.25 g/mol
Exact Mass156.15
IUPAC NameN-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine
SMILESCCNCCN1C=[N+](C)CC1
InChIInChI=1S/C8H18N3/c1-3-9-4-5-11-7-6-10(2)8-11/h8-9H,3-7H2,1-2H3/q+1
InChIKeyDEYUKMZMAWGGHT-UHFFFAOYSA-N
XLogP-0.42
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine (CID 19358913) is N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine is CCNCCN1C=[N+](C)CC1.
What is the InChIKey of N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine?
The InChIKey is DEYUKMZMAWGGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3/c1-3-9-4-5-11-7-6-10(2)8-11/h8-9H,3-7H2,1-2H3/q+1.
What are the key properties of N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine?
N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine has a molecular weight of 156.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine is sourced from PubChem (CID 19358913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).