5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine

C11H19N3 — CID 130791618

IUPAC5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1c(N)nc(C)c1C1CC1(C)C
InChIInChI=1S/C11H19N3/c1-5-14-9(7(2)13-10(14)12)8-6-11(8,3)4/h8H,5-6H2,1-4H3,(H2,12,13)
InChIKeyJYIYFBLFBGJTRU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.31
Rot. Bonds2

About 5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine

5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine (PubChem CID 130791618) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine
PubChem CID130791618
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1c(N)nc(C)c1C1CC1(C)C
InChIInChI=1S/C11H19N3/c1-5-14-9(7(2)13-10(14)12)8-6-11(8,3)4/h8H,5-6H2,1-4H3,(H2,12,13)
InChIKeyJYIYFBLFBGJTRU-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of 5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine (CID 130791618) is 5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine is CCn1c(N)nc(C)c1C1CC1(C)C.
What is the InChIKey of 5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is JYIYFBLFBGJTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-14-9(7(2)13-10(14)12)8-6-11(8,3)4/h8H,5-6H2,1-4H3,(H2,12,13).
What are the key properties of 5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine?
5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 130791618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).