6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane

C12H23N — CID 59161533

IUPAC6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane
SMILESCC(C)C1(C(C)C)CC2(CNC2)C1
InChIInChI=1S/C12H23N/c1-9(2)12(10(3)4)5-11(6-12)7-13-8-11/h9-10,13H,5-8H2,1-4H3
InChIKeyVPRUHTZOROGVMO-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.67
Rot. Bonds2

About 6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane

6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane (PubChem CID 59161533) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane
PubChem CID59161533
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane
SMILESCC(C)C1(C(C)C)CC2(CNC2)C1
InChIInChI=1S/C12H23N/c1-9(2)12(10(3)4)5-11(6-12)7-13-8-11/h9-10,13H,5-8H2,1-4H3
InChIKeyVPRUHTZOROGVMO-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane?
The IUPAC name of 6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane (CID 59161533) is 6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane is CC(C)C1(C(C)C)CC2(CNC2)C1.
What is the InChIKey of 6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane?
The InChIKey is VPRUHTZOROGVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)12(10(3)4)5-11(6-12)7-13-8-11/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane?
6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane has a molecular weight of 181.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-di(propan-2-yl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 59161533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).