1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane

C21H32N6 — CID 70779062

IUPAC1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane
SMILESCCCCc1ncc(CN2CCCC23CCN(c2ccc(C)nn2)CC3)[nH]1
InChIInChI=1S/C21H32N6/c1-3-4-6-19-22-15-18(23-19)16-27-12-5-9-21(27)10-13-26(14-11-21)20-8-7-17(2)24-25-20/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,22,23)
InChIKeyWTUYMDDUACSSFJ-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.49
Rot. Bonds6

About 1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane

1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane (PubChem CID 70779062) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane
PubChem CID70779062
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC Name1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane
SMILESCCCCc1ncc(CN2CCCC23CCN(c2ccc(C)nn2)CC3)[nH]1
InChIInChI=1S/C21H32N6/c1-3-4-6-19-22-15-18(23-19)16-27-12-5-9-21(27)10-13-26(14-11-21)20-8-7-17(2)24-25-20/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,22,23)
InChIKeyWTUYMDDUACSSFJ-UHFFFAOYSA-N
XLogP3.49
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane (CID 70779062) is 1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane is CCCCc1ncc(CN2CCCC23CCN(c2ccc(C)nn2)CC3)[nH]1.
What is the InChIKey of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane?
The InChIKey is WTUYMDDUACSSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-3-4-6-19-22-15-18(23-19)16-27-12-5-9-21(27)10-13-26(14-11-21)20-8-7-17(2)24-25-20/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,22,23).
What are the key properties of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane?
1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane has a molecular weight of 368.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 70779062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).