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

C15H25N3O — CID 97451228

IUPAC2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane
SMILESCCOC1CC2(CCN(Cc3nccn3C)CC2)C1
InChIInChI=1S/C15H25N3O/c1-3-19-13-10-15(11-13)4-7-18(8-5-15)12-14-16-6-9-17(14)2/h6,9,13H,3-5,7-8,10-12H2,1-2H3
InChIKeyNMFKHAVRIITMQA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.20
Rot. Bonds4

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

2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane (PubChem CID 97451228) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane
PubChem CID97451228
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane
SMILESCCOC1CC2(CCN(Cc3nccn3C)CC2)C1
InChIInChI=1S/C15H25N3O/c1-3-19-13-10-15(11-13)4-7-18(8-5-15)12-14-16-6-9-17(14)2/h6,9,13H,3-5,7-8,10-12H2,1-2H3
InChIKeyNMFKHAVRIITMQA-UHFFFAOYSA-N
XLogP2.20
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane (CID 97451228) is 2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane is CCOC1CC2(CCN(Cc3nccn3C)CC2)C1.
What is the InChIKey of 2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane?
The InChIKey is NMFKHAVRIITMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-19-13-10-15(11-13)4-7-18(8-5-15)12-14-16-6-9-17(14)2/h6,9,13H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of 2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane?
2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane has a molecular weight of 263.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97451228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).