3-tert-butyl-5-methyl-5-azaspiro[3.4]octane

C12H23N — CID 171594521

IUPAC3-tert-butyl-5-methyl-5-azaspiro[3.4]octane
SMILESCN1CCCC12CCC2C(C)(C)C
InChIInChI=1S/C12H23N/c1-11(2,3)10-6-8-12(10)7-5-9-13(12)4/h10H,5-9H2,1-4H3
InChIKeyMPOYCIPWXRAWTM-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds

About 3-tert-butyl-5-methyl-5-azaspiro[3.4]octane

3-tert-butyl-5-methyl-5-azaspiro[3.4]octane (PubChem CID 171594521) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-5-azaspiro[3.4]octane
PubChem CID171594521
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-tert-butyl-5-methyl-5-azaspiro[3.4]octane
SMILESCN1CCCC12CCC2C(C)(C)C
InChIInChI=1S/C12H23N/c1-11(2,3)10-6-8-12(10)7-5-9-13(12)4/h10H,5-9H2,1-4H3
InChIKeyMPOYCIPWXRAWTM-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-5-azaspiro[3.4]octane?
The IUPAC name of 3-tert-butyl-5-methyl-5-azaspiro[3.4]octane (CID 171594521) is 3-tert-butyl-5-methyl-5-azaspiro[3.4]octane.
What is the SMILES notation for 3-tert-butyl-5-methyl-5-azaspiro[3.4]octane?
The canonical SMILES for 3-tert-butyl-5-methyl-5-azaspiro[3.4]octane is CN1CCCC12CCC2C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-methyl-5-azaspiro[3.4]octane?
The InChIKey is MPOYCIPWXRAWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2,3)10-6-8-12(10)7-5-9-13(12)4/h10H,5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-5-methyl-5-azaspiro[3.4]octane?
3-tert-butyl-5-methyl-5-azaspiro[3.4]octane has a molecular weight of 181.32 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-5-azaspiro[3.4]octane is sourced from PubChem (CID 171594521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).