2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane

C12H21N — CID 167272212

IUPAC2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane
SMILESCC(C)=C1CCC2(CC1)CN(C)C2
InChIInChI=1S/C12H21N/c1-10(2)11-4-6-12(7-5-11)8-13(3)9-12/h4-9H2,1-3H3
InChIKeyFMSVPAIMGIKJDJ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.83
Rot. Bonds

About 2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane

2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane (PubChem CID 167272212) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane
PubChem CID167272212
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane
SMILESCC(C)=C1CCC2(CC1)CN(C)C2
InChIInChI=1S/C12H21N/c1-10(2)11-4-6-12(7-5-11)8-13(3)9-12/h4-9H2,1-3H3
InChIKeyFMSVPAIMGIKJDJ-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane?
The IUPAC name of 2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane (CID 167272212) is 2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane is CC(C)=C1CCC2(CC1)CN(C)C2.
What is the InChIKey of 2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane?
The InChIKey is FMSVPAIMGIKJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10(2)11-4-6-12(7-5-11)8-13(3)9-12/h4-9H2,1-3H3.
What are the key properties of 2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane?
2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane has a molecular weight of 179.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-ylidene-2-azaspiro[3.5]nonane is sourced from PubChem (CID 167272212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).