ethyl-[(1-methylimidazol-2-yl)methyl]azanium

C7H14N3+ — CID 7147628

IUPACethyl-[(1-methylimidazol-2-yl)methyl]azanium
SMILESCC[NH2+]Cc1nccn1C
InChIInChI=1S/C7H13N3/c1-3-8-6-7-9-4-5-10(7)2/h4-5,8H,3,6H2,1-2H3/p+1
InChIKeyFZEVGHJNAKWZTR-UHFFFAOYSA-O
MW140.21 g/mol
LogP-0.50
Rot. Bonds3

About ethyl-[(1-methylimidazol-2-yl)methyl]azanium

ethyl-[(1-methylimidazol-2-yl)methyl]azanium (PubChem CID 7147628) has the molecular formula C7H14N3+ and a molecular weight of 140.21 g/mol. Its IUPAC name is ethyl-[(1-methylimidazol-2-yl)methyl]azanium.

Molecular Properties

Compound Nameethyl-[(1-methylimidazol-2-yl)methyl]azanium
PubChem CID7147628
Molecular FormulaC7H14N3+
Molecular Weight140.21 g/mol
Exact Mass140.12
IUPAC Nameethyl-[(1-methylimidazol-2-yl)methyl]azanium
SMILESCC[NH2+]Cc1nccn1C
InChIInChI=1S/C7H13N3/c1-3-8-6-7-9-4-5-10(7)2/h4-5,8H,3,6H2,1-2H3/p+1
InChIKeyFZEVGHJNAKWZTR-UHFFFAOYSA-O
XLogP-0.50
TPSA34.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl-[(1-methylimidazol-2-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl-[(1-propylimidazol-2-yl)methyl]azanium
CID 7147625
azane;1-methyl-2-propylimidazole
CID 174525892
2-(fluoromethyl)-1-methylimidazole
CID 11679811
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
2-(ethylsulfonylmethyl)-1-methylimidazole
CID 117187200
1-methyl-2-nonylimidazole
CID 67393993
2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
CID 174757497
2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride
CID 11567222
1-methyl-2-pentadecylimidazole
CID 68899434
3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 65039838

Frequently Asked Questions

What is the IUPAC name of ethyl-[(1-methylimidazol-2-yl)methyl]azanium?
The IUPAC name of ethyl-[(1-methylimidazol-2-yl)methyl]azanium (CID 7147628) is ethyl-[(1-methylimidazol-2-yl)methyl]azanium.
What is the SMILES notation for ethyl-[(1-methylimidazol-2-yl)methyl]azanium?
The canonical SMILES for ethyl-[(1-methylimidazol-2-yl)methyl]azanium is CC[NH2+]Cc1nccn1C.
What is the InChIKey of ethyl-[(1-methylimidazol-2-yl)methyl]azanium?
The InChIKey is FZEVGHJNAKWZTR-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N3/c1-3-8-6-7-9-4-5-10(7)2/h4-5,8H,3,6H2,1-2H3/p+1.
What are the key properties of ethyl-[(1-methylimidazol-2-yl)methyl]azanium?
ethyl-[(1-methylimidazol-2-yl)methyl]azanium has a molecular weight of 140.21 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(1-methylimidazol-2-yl)methyl]azanium is sourced from PubChem (CID 7147628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).