8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane

C15H26N4 — CID 82871949

IUPAC8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CC3(CCCC3)NCC2(C)C)n1
InChIInChI=1S/C15H26N4/c1-14(2)11-16-15(7-4-5-8-15)12-19(14)10-13-6-9-18(3)17-13/h6,9,16H,4-5,7-8,10-12H2,1-3H3
InChIKeySIPSJVGKBCBXHF-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.92
Rot. Bonds2

About 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane

8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 82871949) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID82871949
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CC3(CCCC3)NCC2(C)C)n1
InChIInChI=1S/C15H26N4/c1-14(2)11-16-15(7-4-5-8-15)12-19(14)10-13-6-9-18(3)17-13/h6,9,16H,4-5,7-8,10-12H2,1-3H3
InChIKeySIPSJVGKBCBXHF-UHFFFAOYSA-N
XLogP1.92
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82871467
8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82872333
8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 114532378
2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871464
8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877587
3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 82872339
3,3-dimethyl-4-(thiophen-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64875517
4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64878397
4-[(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64877632
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,5,5-tetramethylpiperazine
CID 64838373
9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64876428
4-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64875900

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane (CID 82871949) is 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane is Cn1ccc(CN2CC3(CCCC3)NCC2(C)C)n1.
What is the InChIKey of 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is SIPSJVGKBCBXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-14(2)11-16-15(7-4-5-8-15)12-19(14)10-13-6-9-18(3)17-13/h6,9,16H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 262.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 82871949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).