2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide

C11H21N4O+ — CID 19969340

IUPAC2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCn1cc[n+](C)c1
InChIInChI=1S/C11H20N4O/c1-4-14(5-2)8-11(16)12-9-15-7-6-13(3)10-15/h6-7,10H,4-5,8-9H2,1-3H3/p+1
InChIKeyDZHJXXAQANLHJG-UHFFFAOYSA-O
MW225.32 g/mol
LogP-0.27
Rot. Bonds6

About 2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide

2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide (PubChem CID 19969340) has the molecular formula C11H21N4O+ and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide
PubChem CID19969340
Molecular FormulaC11H21N4O+
Molecular Weight225.32 g/mol
Exact Mass225.17
IUPAC Name2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCn1cc[n+](C)c1
InChIInChI=1S/C11H20N4O/c1-4-14(5-2)8-11(16)12-9-15-7-6-13(3)10-15/h6-7,10H,4-5,8-9H2,1-3H3/p+1
InChIKeyDZHJXXAQANLHJG-UHFFFAOYSA-O
XLogP-0.27
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(3-methylimidazol-3-ium-1-yl)acetamide
CID 101430503
N-methyl-1-(3-methylimidazol-3-ium-1-yl)methanamine
CID 58005271
2-[carboxymethyl-[2-(3-methylimidazol-3-ium-1-yl)ethyl]amino]acetic acid
CID 102151988
tetrakis(2-(3-methylimidazol-3-ium-1-yl)acetic acid);tetrachloride
CID 160699862
bis(2-(3-methylimidazol-3-ium-1-yl)acetate);palladium(2+);diacetate
CID 56930868
2-(3-methylimidazol-3-ium-1-yl)-N,N-bis[2-(3-methylimidazol-3-ium-1-yl)ethyl]ethanamine
CID 88562344
2-(diethylamino)-N-[3-[[2-(diethylamino)acetyl]amino]propyl]acetamide;dihydrochloride
CID 24832330
acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid
CID 139449922
N-butyl-2-(diethylamino)acetamide
CID 54813643
(2S)-2-aminopropanoic acid;1-ethyl-3-methylimidazol-3-ium
CID 87299363
bis(1-ethyl-3-methylimidazol-3-ium);hydrogen sulfate
CID 140689425
N-[2-hydroxy-3-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]phenyl]-2-(3-methylimidazol-3-ium-1-yl)acetamide dichloride
CID 18552056

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide (CID 19969340) is 2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide is CCN(CC)CC(=O)NCn1cc[n+](C)c1.
What is the InChIKey of 2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide?
The InChIKey is DZHJXXAQANLHJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N4O/c1-4-14(5-2)8-11(16)12-9-15-7-6-13(3)10-15/h6-7,10H,4-5,8-9H2,1-3H3/p+1.
What are the key properties of 2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide?
2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide has a molecular weight of 225.32 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(3-methylimidazol-3-ium-1-yl)methyl]acetamide is sourced from PubChem (CID 19969340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).