6,8-di(propan-2-yl)-6-azaspiro[3.4]octane

C13H25N — CID 177092179

IUPAC6,8-di(propan-2-yl)-6-azaspiro[3.4]octane
SMILESCC(C)C1CN(C(C)C)CC12CCC2
InChIInChI=1S/C13H25N/c1-10(2)12-8-14(11(3)4)9-13(12)6-5-7-13/h10-12H,5-9H2,1-4H3
InChIKeyUMLSTFVVHZFUHT-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.15
Rot. Bonds2

About 6,8-di(propan-2-yl)-6-azaspiro[3.4]octane

6,8-di(propan-2-yl)-6-azaspiro[3.4]octane (PubChem CID 177092179) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 6,8-di(propan-2-yl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6,8-di(propan-2-yl)-6-azaspiro[3.4]octane
PubChem CID177092179
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name6,8-di(propan-2-yl)-6-azaspiro[3.4]octane
SMILESCC(C)C1CN(C(C)C)CC12CCC2
InChIInChI=1S/C13H25N/c1-10(2)12-8-14(11(3)4)9-13(12)6-5-7-13/h10-12H,5-9H2,1-4H3
InChIKeyUMLSTFVVHZFUHT-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-di(propan-2-yl)-6-azaspiro[3.4]octane?
The IUPAC name of 6,8-di(propan-2-yl)-6-azaspiro[3.4]octane (CID 177092179) is 6,8-di(propan-2-yl)-6-azaspiro[3.4]octane.
What is the SMILES notation for 6,8-di(propan-2-yl)-6-azaspiro[3.4]octane?
The canonical SMILES for 6,8-di(propan-2-yl)-6-azaspiro[3.4]octane is CC(C)C1CN(C(C)C)CC12CCC2.
What is the InChIKey of 6,8-di(propan-2-yl)-6-azaspiro[3.4]octane?
The InChIKey is UMLSTFVVHZFUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)12-8-14(11(3)4)9-13(12)6-5-7-13/h10-12H,5-9H2,1-4H3.
What are the key properties of 6,8-di(propan-2-yl)-6-azaspiro[3.4]octane?
6,8-di(propan-2-yl)-6-azaspiro[3.4]octane has a molecular weight of 195.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-di(propan-2-yl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 177092179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).