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

C17H30N4 — CID 82872333

IUPAC8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CC3(CCCC3)NCC2C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-16(2,3)15-11-18-17(8-5-6-9-17)13-21(15)12-14-7-10-20(4)19-14/h7,10,15,18H,5-6,8-9,11-13H2,1-4H3
InChIKeyUSDZCSNAUFBADZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.55
Rot. Bonds2

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

8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 82872333) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID82872333
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CC3(CCCC3)NCC2C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-16(2,3)15-11-18-17(8-5-6-9-17)13-21(15)12-14-7-10-20(4)19-14/h7,10,15,18H,5-6,8-9,11-13H2,1-4H3
InChIKeyUSDZCSNAUFBADZ-UHFFFAOYSA-N
XLogP2.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane (CID 82872333) is 8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane is Cn1ccc(CN2CC3(CCCC3)NCC2C(C)(C)C)n1.
What is the InChIKey of 8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is USDZCSNAUFBADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-16(2,3)15-11-18-17(8-5-6-9-17)13-21(15)12-14-7-10-20(4)19-14/h7,10,15,18H,5-6,8-9,11-13H2,1-4H3.
What are the key properties of 8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane?
8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 290.45 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 82872333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).