2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine

C17H19N3 — CID 62350029

IUPAC2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine
SMILESCc1ncn(CC(N)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C17H19N3/c1-12-13(2)20(11-19-12)10-17(18)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,11,17H,10,18H2,1-2H3
InChIKeyGPGHMIUDZSWDEY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.35
Rot. Bonds3

About 2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine

2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine (PubChem CID 62350029) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine
PubChem CID62350029
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine
SMILESCc1ncn(CC(N)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C17H19N3/c1-12-13(2)20(11-19-12)10-17(18)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,11,17H,10,18H2,1-2H3
InChIKeyGPGHMIUDZSWDEY-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine (CID 62350029) is 2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine is Cc1ncn(CC(N)c2ccc3ccccc3c2)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine?
The InChIKey is GPGHMIUDZSWDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-13(2)20(11-19-12)10-17(18)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,11,17H,10,18H2,1-2H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine?
2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 62350029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).