2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine

C9H19N3 — CID 141333519

IUPAC2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1C=NC(C)(C)C1
InChIInChI=1S/C9H19N3/c1-9(2)7-12(8-10-9)6-5-11(3)4/h8H,5-7H2,1-4H3
InChIKeyBTOARUATCCWGRW-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.67
Rot. Bonds3

About 2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine

2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine (PubChem CID 141333519) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine
PubChem CID141333519
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1C=NC(C)(C)C1
InChIInChI=1S/C9H19N3/c1-9(2)7-12(8-10-9)6-5-11(3)4/h8H,5-7H2,1-4H3
InChIKeyBTOARUATCCWGRW-UHFFFAOYSA-N
XLogP0.67
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine (CID 141333519) is 2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine is CN(C)CCN1C=NC(C)(C)C1.
What is the InChIKey of 2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine?
The InChIKey is BTOARUATCCWGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(2)7-12(8-10-9)6-5-11(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine?
2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine has a molecular weight of 169.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-4H-imidazol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 141333519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).