9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane

C17H30N4O — CID 97484524

IUPAC9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCC2(CCCN(Cc3nccn3C)C2)CC1
InChIInChI=1S/C17H30N4O/c1-19-11-7-18-16(19)14-21-8-3-4-17(15-21)5-9-20(10-6-17)12-13-22-2/h7,11H,3-6,8-10,12-15H2,1-2H3
InChIKeyRJGHJUFYPARJJD-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.74
Rot. Bonds5

About 9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane

9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane (PubChem CID 97484524) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane
PubChem CID97484524
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCC2(CCCN(Cc3nccn3C)C2)CC1
InChIInChI=1S/C17H30N4O/c1-19-11-7-18-16(19)14-21-8-3-4-17(15-21)5-9-20(10-6-17)12-13-22-2/h7,11H,3-6,8-10,12-15H2,1-2H3
InChIKeyRJGHJUFYPARJJD-UHFFFAOYSA-N
XLogP1.74
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane (CID 97484524) is 9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane is COCCN1CCC2(CCCN(Cc3nccn3C)C2)CC1.
What is the InChIKey of 9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane?
The InChIKey is RJGHJUFYPARJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-19-11-7-18-16(19)14-21-8-3-4-17(15-21)5-9-20(10-6-17)12-13-22-2/h7,11H,3-6,8-10,12-15H2,1-2H3.
What are the key properties of 9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane?
9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane has a molecular weight of 306.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97484524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).