3-pentan-3-yl-2-azaspiro[3.3]heptane

C11H21N — CID 130575033

IUPAC3-pentan-3-yl-2-azaspiro[3.3]heptane
SMILESCCC(CC)C1NCC12CCC2
InChIInChI=1S/C11H21N/c1-3-9(4-2)10-11(8-12-10)6-5-7-11/h9-10,12H,3-8H2,1-2H3
InChIKeyHDTOFZRGYWOXEF-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.56
Rot. Bonds3

About 3-pentan-3-yl-2-azaspiro[3.3]heptane

3-pentan-3-yl-2-azaspiro[3.3]heptane (PubChem CID 130575033) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-pentan-3-yl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name3-pentan-3-yl-2-azaspiro[3.3]heptane
PubChem CID130575033
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-pentan-3-yl-2-azaspiro[3.3]heptane
SMILESCCC(CC)C1NCC12CCC2
InChIInChI=1S/C11H21N/c1-3-9(4-2)10-11(8-12-10)6-5-7-11/h9-10,12H,3-8H2,1-2H3
InChIKeyHDTOFZRGYWOXEF-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-2-azaspiro[3.3]heptane?
The IUPAC name of 3-pentan-3-yl-2-azaspiro[3.3]heptane (CID 130575033) is 3-pentan-3-yl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 3-pentan-3-yl-2-azaspiro[3.3]heptane?
The canonical SMILES for 3-pentan-3-yl-2-azaspiro[3.3]heptane is CCC(CC)C1NCC12CCC2.
What is the InChIKey of 3-pentan-3-yl-2-azaspiro[3.3]heptane?
The InChIKey is HDTOFZRGYWOXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-9(4-2)10-11(8-12-10)6-5-7-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 3-pentan-3-yl-2-azaspiro[3.3]heptane?
3-pentan-3-yl-2-azaspiro[3.3]heptane has a molecular weight of 167.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 130575033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).