8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane

C17H32N2O — CID 64877579

IUPAC8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)(C)C1CNC2(CCCC2)CN1CC1CCOC1
InChIInChI=1S/C17H32N2O/c1-16(2,3)15-10-18-17(7-4-5-8-17)13-19(15)11-14-6-9-20-12-14/h14-15,18H,4-13H2,1-3H3
InChIKeyGPWWGVDRELVJDL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds2

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

8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64877579) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64877579
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)(C)C1CNC2(CCCC2)CN1CC1CCOC1
InChIInChI=1S/C17H32N2O/c1-16(2,3)15-10-18-17(7-4-5-8-17)13-19(15)11-14-6-9-20-12-14/h14-15,18H,4-13H2,1-3H3
InChIKeyGPWWGVDRELVJDL-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 103141462
2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64845762
3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64878202
8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 103016557
9-(1,4-dioxan-2-ylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935156
8-tert-butyl-9-[2-(2-methoxyethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64877000
8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82872333
2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64839542
5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843761
9-(2-cyclopentylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64934593
2-cyclopropyl-5-ethyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64848711
3-tert-butyl-4-(2-phenylmethoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 112752390

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 64877579) is 8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane is CC(C)(C)C1CNC2(CCCC2)CN1CC1CCOC1.
What is the InChIKey of 8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is GPWWGVDRELVJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-16(2,3)15-10-18-17(7-4-5-8-17)13-19(15)11-14-6-9-20-12-14/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 280.46 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).