3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane

C12H23N — CID 170754482

IUPAC3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane
SMILESCC1CC2(CCC(C(C)C)C2)CN1
InChIInChI=1S/C12H23N/c1-9(2)11-4-5-12(7-11)6-10(3)13-8-12/h9-11,13H,4-8H2,1-3H3
InChIKeyMHZXBKWSMTWEGL-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds1

About 3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane

3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane (PubChem CID 170754482) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane
PubChem CID170754482
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane
SMILESCC1CC2(CCC(C(C)C)C2)CN1
InChIInChI=1S/C12H23N/c1-9(2)11-4-5-12(7-11)6-10(3)13-8-12/h9-11,13H,4-8H2,1-3H3
InChIKeyMHZXBKWSMTWEGL-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane?
The IUPAC name of 3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane (CID 170754482) is 3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane.
What is the SMILES notation for 3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane?
The canonical SMILES for 3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane is CC1CC2(CCC(C(C)C)C2)CN1.
What is the InChIKey of 3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane?
The InChIKey is MHZXBKWSMTWEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)11-4-5-12(7-11)6-10(3)13-8-12/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane?
3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane has a molecular weight of 181.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 170754482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).