3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane

C18H36N2 — CID 64878202

IUPAC3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CCN1CC2(CCCCC2)NCC1C(C)(C)C
InChIInChI=1S/C18H36N2/c1-15(2)9-12-20-14-18(10-7-6-8-11-18)19-13-16(20)17(3,4)5/h15-16,19H,6-14H2,1-5H3
InChIKeyWJKNRURUUYSGSS-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds3

About 3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane

3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64878202) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64878202
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CCN1CC2(CCCCC2)NCC1C(C)(C)C
InChIInChI=1S/C18H36N2/c1-15(2)9-12-20-14-18(10-7-6-8-11-18)19-13-16(20)17(3,4)5/h15-16,19H,6-14H2,1-5H3
InChIKeyWJKNRURUUYSGSS-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64877619
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
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
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64877798
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82872333
8-tert-butyl-9-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877579
8-tert-butyl-9-[(5-methyloxolan-2-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 103141462
3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64876284
3,4-bis(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64876468

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane (CID 64878202) is 3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane is CC(C)CCN1CC2(CCCCC2)NCC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is WJKNRURUUYSGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15(2)9-12-20-14-18(10-7-6-8-11-18)19-13-16(20)17(3,4)5/h15-16,19H,6-14H2,1-5H3.
What are the key properties of 3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 280.50 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64878202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).