8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane

C18H36N2O — CID 103016557

IUPAC8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane
SMILESCOC(C)(C)CCN1CC2(CCCC2)NCC1C(C)(C)C
InChIInChI=1S/C18H36N2O/c1-16(2,3)15-13-19-18(9-7-8-10-18)14-20(15)12-11-17(4,5)21-6/h15,19H,7-14H2,1-6H3
InChIKeyBABSVFHIUMOLCV-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.43
Rot. Bonds4

About 8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane

8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane (PubChem CID 103016557) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane
PubChem CID103016557
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane
SMILESCOC(C)(C)CCN1CC2(CCCC2)NCC1C(C)(C)C
InChIInChI=1S/C18H36N2O/c1-16(2,3)15-13-19-18(9-7-8-10-18)14-20(15)12-11-17(4,5)21-6/h15,19H,7-14H2,1-6H3
InChIKeyBABSVFHIUMOLCV-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64877000
3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64878202
3-tert-butyl-4-(2-phenylmethoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 112752390
8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64878537
8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82872333
8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 103141462
8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877579
5-ethyl-1-(3-methoxy-3-methylbutyl)-2,5-dimethylpiperazine
CID 103016503
8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64876420
8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64878141
2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine
CID 103016623
9-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877161

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane (CID 103016557) is 8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane is COC(C)(C)CCN1CC2(CCCC2)NCC1C(C)(C)C.
What is the InChIKey of 8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is BABSVFHIUMOLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-16(2,3)15-13-19-18(9-7-8-10-18)14-20(15)12-11-17(4,5)21-6/h15,19H,7-14H2,1-6H3.
What are the key properties of 8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane?
8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 296.50 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 103016557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).