8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane

C15H26N4O — CID 97493560

IUPAC8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane
SMILESCOCCN1CCCC12CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H26N4O/c1-20-10-9-19-6-2-3-15(19)4-7-18(8-5-15)12-14-11-16-13-17-14/h11,13H,2-10,12H2,1H3,(H,16,17)
InChIKeyJFKDSCZFPGBAQE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.49
Rot. Bonds5

About 8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane

8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane (PubChem CID 97493560) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane
PubChem CID97493560
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane
SMILESCOCCN1CCCC12CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H26N4O/c1-20-10-9-19-6-2-3-15(19)4-7-18(8-5-15)12-14-11-16-13-17-14/h11,13H,2-10,12H2,1H3,(H,16,17)
InChIKeyJFKDSCZFPGBAQE-UHFFFAOYSA-N
XLogP1.49
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane (CID 97493560) is 8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane is COCCN1CCCC12CCN(Cc1cnc[nH]1)CC2.
What is the InChIKey of 8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is JFKDSCZFPGBAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-20-10-9-19-6-2-3-15(19)4-7-18(8-5-15)12-14-11-16-13-17-14/h11,13H,2-10,12H2,1H3,(H,16,17).
What are the key properties of 8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 278.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97493560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).