6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine

C30H45N3O3Si — CID 67269116

IUPAC6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine
SMILESCCC1(CCCCCC(N)c2cnc(-c3ccc4ccccc4c3)n2COCC[Si](C)(C)C)OCCO1
InChIInChI=1S/C30H45N3O3Si/c1-5-30(35-17-18-36-30)16-10-6-7-13-27(31)28-22-32-29(33(28)23-34-19-20-37(2,3)4)26-15-14-24-11-8-9-12-25(24)21-26/h8-9,11-12,14-15,21-22,27H,5-7,10,13,16-20,23,31H2,1-4H3
InChIKeyUPPDJKUEBULHAY-UHFFFAOYSA-N
MW523.79 g/mol
LogP7.12
Rot. Bonds14

About 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine

6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine (PubChem CID 67269116) has the molecular formula C30H45N3O3Si and a molecular weight of 523.79 g/mol. Its IUPAC name is 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine.

Molecular Properties

Compound Name6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine
PubChem CID67269116
Molecular FormulaC30H45N3O3Si
Molecular Weight523.79 g/mol
Exact Mass523.32
IUPAC Name6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine
SMILESCCC1(CCCCCC(N)c2cnc(-c3ccc4ccccc4c3)n2COCC[Si](C)(C)C)OCCO1
InChIInChI=1S/C30H45N3O3Si/c1-5-30(35-17-18-36-30)16-10-6-7-13-27(31)28-22-32-29(33(28)23-34-19-20-37(2,3)4)26-15-14-24-11-8-9-12-25(24)21-26/h8-9,11-12,14-15,21-22,27H,5-7,10,13,16-20,23,31H2,1-4H3
InChIKeyUPPDJKUEBULHAY-UHFFFAOYSA-N
XLogP7.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.79
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine?
The IUPAC name of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine (CID 67269116) is 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine.
What is the SMILES notation for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine?
The canonical SMILES for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine is CCC1(CCCCCC(N)c2cnc(-c3ccc4ccccc4c3)n2COCC[Si](C)(C)C)OCCO1.
What is the InChIKey of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine?
The InChIKey is UPPDJKUEBULHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O3Si/c1-5-30(35-17-18-36-30)16-10-6-7-13-27(31)28-22-32-29(33(28)23-34-19-20-37(2,3)4)26-15-14-24-11-8-9-12-25(24)21-26/h8-9,11-12,14-15,21-22,27H,5-7,10,13,16-20,23,31H2,1-4H3.
What are the key properties of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine?
6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine has a molecular weight of 523.79 g/mol, XLogP of 7.12, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[2-naphthalen-2-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]hexan-1-amine is sourced from PubChem (CID 67269116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).