1-tert-butyl-1-azaspiro[3.5]nonane

C12H23N — CID 118157692

IUPAC1-tert-butyl-1-azaspiro[3.5]nonane
SMILESCC(C)(C)N1CCC12CCCCC2
InChIInChI=1S/C12H23N/c1-11(2,3)13-10-9-12(13)7-5-4-6-8-12/h4-10H2,1-3H3
InChIKeyPTPOOJXSDOPOEX-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.19
Rot. Bonds

About 1-tert-butyl-1-azaspiro[3.5]nonane

1-tert-butyl-1-azaspiro[3.5]nonane (PubChem CID 118157692) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-tert-butyl-1-azaspiro[3.5]nonane.

Molecular Properties

Compound Name1-tert-butyl-1-azaspiro[3.5]nonane
PubChem CID118157692
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-tert-butyl-1-azaspiro[3.5]nonane
SMILESCC(C)(C)N1CCC12CCCCC2
InChIInChI=1S/C12H23N/c1-11(2,3)13-10-9-12(13)7-5-4-6-8-12/h4-10H2,1-3H3
InChIKeyPTPOOJXSDOPOEX-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butyl-2-oxa-6-azaspiro[4.5]decane
CID 162462248
1-tert-butyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane
CID 166569331
1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane
CID 130211344
1-tert-butyl-2,2-dimethylpiperidine
CID 161492133
5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane
CID 163234157
1-tert-butyl-2,2-dimethylpyrrolidine
CID 58450080
1-tert-butyl-1-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,8-diazaspiro[3.5]nonane
CID 159238041
2-tert-butyl-2-azaspiro[4.5]decane;8-tert-butyl-8-azaspiro[4.5]decane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;1-tert-butyl-1,8-diazaspiro[4.5]decane;2-tert-butyl-2,8-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;methane
CID 161238642
1-methyl-1-azaspiro[3.3]heptane
CID 118001601
4-tert-butyl-7-propyl-4,7-diazaspiro[2.5]octane
CID 174296005
1-tert-butylcyclooctan-1-ol
CID 12697683
2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane
CID 167549222

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-azaspiro[3.5]nonane?
The IUPAC name of 1-tert-butyl-1-azaspiro[3.5]nonane (CID 118157692) is 1-tert-butyl-1-azaspiro[3.5]nonane.
What is the SMILES notation for 1-tert-butyl-1-azaspiro[3.5]nonane?
The canonical SMILES for 1-tert-butyl-1-azaspiro[3.5]nonane is CC(C)(C)N1CCC12CCCCC2.
What is the InChIKey of 1-tert-butyl-1-azaspiro[3.5]nonane?
The InChIKey is PTPOOJXSDOPOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2,3)13-10-9-12(13)7-5-4-6-8-12/h4-10H2,1-3H3.
What are the key properties of 1-tert-butyl-1-azaspiro[3.5]nonane?
1-tert-butyl-1-azaspiro[3.5]nonane has a molecular weight of 181.32 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-azaspiro[3.5]nonane is sourced from PubChem (CID 118157692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).