1,2-ditert-butyl-2-azaspiro[4.4]nonane

C16H31N — CID 176747897

IUPAC1,2-ditert-butyl-2-azaspiro[4.4]nonane
SMILESCC(C)(C)C1N(C(C)(C)C)CCC12CCCC2
InChIInChI=1S/C16H31N/c1-14(2,3)13-16(9-7-8-10-16)11-12-17(13)15(4,5)6/h13H,7-12H2,1-6H3
InChIKeyVGBOIXVPYCIOEI-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.47
Rot. Bonds

About 1,2-ditert-butyl-2-azaspiro[4.4]nonane

1,2-ditert-butyl-2-azaspiro[4.4]nonane (PubChem CID 176747897) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1,2-ditert-butyl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1,2-ditert-butyl-2-azaspiro[4.4]nonane
PubChem CID176747897
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1,2-ditert-butyl-2-azaspiro[4.4]nonane
SMILESCC(C)(C)C1N(C(C)(C)C)CCC12CCCC2
InChIInChI=1S/C16H31N/c1-14(2,3)13-16(9-7-8-10-16)11-12-17(13)15(4,5)6/h13H,7-12H2,1-6H3
InChIKeyVGBOIXVPYCIOEI-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 56924036
4-tert-butylspiro[4.4]nonane
CID 140778111
(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 126627824
1-tert-butyl-2,3,3-trimethylpiperidine
CID 134197501
(4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane
CID 171594457
1-tert-butyl-3,3-diethylpyrrolidin-2-amine
CID 89045723
7,8-ditert-butyl-2-methyl-2,8-diazaspiro[4.5]decane
CID 172515504
1,2-ditert-butyl-4-cyclopropylpiperidin-4-ol
CID 153289881
(5R,7R)-8-tert-butyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
CID 172515568
1-tert-butyl-2-methoxy-3,3-dimethylpiperidine
CID 14356860
5,6-ditert-butyl-2-[2-methyl-2-[5-(1-methylsulfanylethyl)-5-azaspiro[2.4]heptan-4-yl]propyl]-5-azaspiro[2.4]heptane
CID 138475364
3,11-dimethyl-3-azaspiro[5.5]undecane
CID 118029302

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-2-azaspiro[4.4]nonane?
The IUPAC name of 1,2-ditert-butyl-2-azaspiro[4.4]nonane (CID 176747897) is 1,2-ditert-butyl-2-azaspiro[4.4]nonane.
What is the SMILES notation for 1,2-ditert-butyl-2-azaspiro[4.4]nonane?
The canonical SMILES for 1,2-ditert-butyl-2-azaspiro[4.4]nonane is CC(C)(C)C1N(C(C)(C)C)CCC12CCCC2.
What is the InChIKey of 1,2-ditert-butyl-2-azaspiro[4.4]nonane?
The InChIKey is VGBOIXVPYCIOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-14(2,3)13-16(9-7-8-10-16)11-12-17(13)15(4,5)6/h13H,7-12H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-2-azaspiro[4.4]nonane?
1,2-ditert-butyl-2-azaspiro[4.4]nonane has a molecular weight of 237.43 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 176747897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).