7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane

C14H23N3O — CID 91831823

IUPAC7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane
SMILESCc1nccn1CCCN1CCC2(CCO2)CC1
InChIInChI=1S/C14H23N3O/c1-13-15-6-11-17(13)8-2-7-16-9-3-14(4-10-16)5-12-18-14/h6,11H,2-5,7-10,12H2,1H3
InChIKeyJJNGLXOIUGPJNK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.84
Rot. Bonds4

About 7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane

7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane (PubChem CID 91831823) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane
PubChem CID91831823
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane
SMILESCc1nccn1CCCN1CCC2(CCO2)CC1
InChIInChI=1S/C14H23N3O/c1-13-15-6-11-17(13)8-2-7-16-9-3-14(4-10-16)5-12-18-14/h6,11H,2-5,7-10,12H2,1H3
InChIKeyJJNGLXOIUGPJNK-UHFFFAOYSA-N
XLogP1.84
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane (CID 91831823) is 7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane is Cc1nccn1CCCN1CCC2(CCO2)CC1.
What is the InChIKey of 7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane?
The InChIKey is JJNGLXOIUGPJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-13-15-6-11-17(13)8-2-7-16-9-3-14(4-10-16)5-12-18-14/h6,11H,2-5,7-10,12H2,1H3.
What are the key properties of 7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane?
7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane has a molecular weight of 249.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 91831823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).