2-(1H-imidazol-5-yl)-N,N-dimethylethanamine

C7H13N3 — CID 12656

IUPAC2-(1H-imidazol-5-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cnc[nH]1
InChIInChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyZJDIMSMQXMWMCF-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.51
Rot. Bonds3

About 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine

2-(1H-imidazol-5-yl)-N,N-dimethylethanamine (PubChem CID 12656) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N,N-dimethylethanamine
PubChem CID12656
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-(1H-imidazol-5-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cnc[nH]1
InChIInChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyZJDIMSMQXMWMCF-UHFFFAOYSA-N
XLogP0.51
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine (CID 12656) is 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine is CN(C)CCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine?
The InChIKey is ZJDIMSMQXMWMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine?
2-(1H-imidazol-5-yl)-N,N-dimethylethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 12656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).