9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde

C11H20N2O — CID 137379437

IUPAC9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde
SMILESCN1CCC2(CC1)CCN(C=O)CC2
InChIInChI=1S/C11H20N2O/c1-12-6-2-11(3-7-12)4-8-13(10-14)9-5-11/h10H,2-9H2,1H3
InChIKeyCBJHJCSETSYCIE-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds1

About 9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde

9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde (PubChem CID 137379437) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde.

Molecular Properties

Compound Name9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde
PubChem CID137379437
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde
SMILESCN1CCC2(CC1)CCN(C=O)CC2
InChIInChI=1S/C11H20N2O/c1-12-6-2-11(3-7-12)4-8-13(10-14)9-5-11/h10H,2-9H2,1H3
InChIKeyCBJHJCSETSYCIE-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde?
The IUPAC name of 9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde (CID 137379437) is 9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde.
What is the SMILES notation for 9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde?
The canonical SMILES for 9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde is CN1CCC2(CC1)CCN(C=O)CC2.
What is the InChIKey of 9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde?
The InChIKey is CBJHJCSETSYCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-6-2-11(3-7-12)4-8-13(10-14)9-5-11/h10H,2-9H2,1H3.
What are the key properties of 9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde?
9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde has a molecular weight of 196.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,9-diazaspiro[5.5]undecane-3-carbaldehyde is sourced from PubChem (CID 137379437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).