8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane

C18H34N2O — CID 103141462

IUPAC8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCC1CCC(CN2CC3(CCCC3)NCC2C(C)(C)C)O1
InChIInChI=1S/C18H34N2O/c1-14-7-8-15(21-14)12-20-13-18(9-5-6-10-18)19-11-16(20)17(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyVAEOHSOHGJMXRQ-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds2

About 8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane

8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 103141462) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID103141462
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCC1CCC(CN2CC3(CCCC3)NCC2C(C)(C)C)O1
InChIInChI=1S/C18H34N2O/c1-14-7-8-15(21-14)12-20-13-18(9-5-6-10-18)19-11-16(20)17(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyVAEOHSOHGJMXRQ-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 103141460
8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877579
3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64878202
2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine
CID 103141252
8-tert-butyl-9-(3-methoxy-3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 103016557
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
8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64878537
9-(1,4-dioxan-2-ylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935156
2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
CID 82837846
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-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane (CID 103141462) is 8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane is CC1CCC(CN2CC3(CCCC3)NCC2C(C)(C)C)O1.
What is the InChIKey of 8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is VAEOHSOHGJMXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-14-7-8-15(21-14)12-20-13-18(9-5-6-10-18)19-11-16(20)17(2,3)4/h14-16,19H,5-13H2,1-4H3.
What are the key properties of 8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane?
8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 294.48 g/mol, XLogP of 3.19, 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-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 103141462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).