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

C11H19N3 — CID 106564770

IUPACN-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1NC1CC1(C)C
InChIInChI=1S/C11H19N3/c1-5-14-7-8(2)12-10(14)13-9-6-11(9,3)4/h7,9H,5-6H2,1-4H3,(H,12,13)
InChIKeyOXUSSQFVSYBUBA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.42
Rot. Bonds3

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

N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine (PubChem CID 106564770) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine
PubChem CID106564770
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1NC1CC1(C)C
InChIInChI=1S/C11H19N3/c1-5-14-7-8(2)12-10(14)13-9-6-11(9,3)4/h7,9H,5-6H2,1-4H3,(H,12,13)
InChIKeyOXUSSQFVSYBUBA-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine (CID 106564770) is N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine is CCn1cc(C)nc1NC1CC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is OXUSSQFVSYBUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-14-7-8(2)12-10(14)13-9-6-11(9,3)4/h7,9H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine?
N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106564770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).