7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane

C17H29N3O — CID 97451248

IUPAC7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane
SMILESCC(C)COC1CC2(CCN(Cc3nccn3C)CC2)C1
InChIInChI=1S/C17H29N3O/c1-14(2)13-21-15-10-17(11-15)4-7-20(8-5-17)12-16-18-6-9-19(16)3/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3
InChIKeyYVESYCVNMNWWSO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.84
Rot. Bonds5

About 7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane

7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane (PubChem CID 97451248) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane
PubChem CID97451248
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane
SMILESCC(C)COC1CC2(CCN(Cc3nccn3C)CC2)C1
InChIInChI=1S/C17H29N3O/c1-14(2)13-21-15-10-17(11-15)4-7-20(8-5-17)12-16-18-6-9-19(16)3/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3
InChIKeyYVESYCVNMNWWSO-UHFFFAOYSA-N
XLogP2.84
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane (CID 97451248) is 7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane is CC(C)COC1CC2(CCN(Cc3nccn3C)CC2)C1.
What is the InChIKey of 7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane?
The InChIKey is YVESYCVNMNWWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)13-21-15-10-17(11-15)4-7-20(8-5-17)12-16-18-6-9-19(16)3/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3.
What are the key properties of 7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane?
7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane has a molecular weight of 291.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97451248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).