2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane

C12H23NO — CID 121400511

IUPAC2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane
SMILESCC(C)OC1CC2(C1)CN(C(C)C)C2
InChIInChI=1S/C12H23NO/c1-9(2)13-7-12(8-13)5-11(6-12)14-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyVNXAXSAAQKBRBL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.28
Rot. Bonds3

About 2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane

2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane (PubChem CID 121400511) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane
PubChem CID121400511
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane
SMILESCC(C)OC1CC2(C1)CN(C(C)C)C2
InChIInChI=1S/C12H23NO/c1-9(2)13-7-12(8-13)5-11(6-12)14-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyVNXAXSAAQKBRBL-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118974342
CID 118974342
CID 118974354
CID 118974354
CID 126752904
CID 126752904
CID 132040786
CID 132040786
CID 132040787
CID 132040787
CID 132040789
CID 132040789
CID 132040790
CID 132040790
CID 132040791
CID 132040791

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane?
The IUPAC name of 2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane (CID 121400511) is 2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane is CC(C)OC1CC2(C1)CN(C(C)C)C2.
What is the InChIKey of 2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane?
The InChIKey is VNXAXSAAQKBRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)13-7-12(8-13)5-11(6-12)14-10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane?
2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane has a molecular weight of 197.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-propan-2-yloxy-2-azaspiro[3.3]heptane is sourced from PubChem (CID 121400511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).