5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane

C16H29N — CID 177123718

IUPAC5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane
SMILESCC1CC2(CCC2)N(C(C)(C)C)C2(CCC2)C1
InChIInChI=1S/C16H29N/c1-13-11-15(7-5-8-15)17(14(2,3)4)16(12-13)9-6-10-16/h13H,5-12H2,1-4H3
InChIKeyYZLNAAKETDKFTK-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.36
Rot. Bonds

About 5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane

5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane (PubChem CID 177123718) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane.

Molecular Properties

Compound Name5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane
PubChem CID177123718
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane
SMILESCC1CC2(CCC2)N(C(C)(C)C)C2(CCC2)C1
InChIInChI=1S/C16H29N/c1-13-11-15(7-5-8-15)17(14(2,3)4)16(12-13)9-6-10-16/h13H,5-12H2,1-4H3
InChIKeyYZLNAAKETDKFTK-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

15-methyl-7-oxido-7-azadispiro[5.1.58.36]hexadecane
CID 140701768
(8S)-5-cyclopropyl-8-methyl-5-azaspiro[3.5]nonane;ethane
CID 169125922
(5R,8S)-1,8-dimethyl-1-azaspiro[4.4]nonane
CID 169125835
9-hydroxy-1,3,5-trimethyl-9-azabicyclo[3.3.1]nonane
CID 129156111
8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane
CID 172630127
ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone
CID 169125133
(7R)-2,5,7-trimethyl-5-azaspiro[3.4]octane
CID 178101476
(1R,4S,5R)-2-tert-butyl-1,3,3,5-tetramethyl-2-azabicyclo[2.2.2]octane
CID 177123839
1-tert-butyl-1-azaspiro[3.5]nonane
CID 118157692
8-tert-butyl-5-cyclopropyl-5-azaspiro[3.5]nonane
CID 171594502
1-tert-butyl-1-methylcyclobutane;2-methylpropane
CID 178126062
ethane;2-methylspiro[3.5]nonane
CID 164868147

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane?
The IUPAC name of 5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane (CID 177123718) is 5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane.
What is the SMILES notation for 5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane?
The canonical SMILES for 5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane is CC1CC2(CCC2)N(C(C)(C)C)C2(CCC2)C1.
What is the InChIKey of 5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane?
The InChIKey is YZLNAAKETDKFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-13-11-15(7-5-8-15)17(14(2,3)4)16(12-13)9-6-10-16/h13H,5-12H2,1-4H3.
What are the key properties of 5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane?
5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane has a molecular weight of 235.41 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-11-methyl-5-azadispiro[3.1.36.34]dodecane is sourced from PubChem (CID 177123718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).