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

C10H18N2O — CID 83618520

IUPAC3,9-diazaspiro[5.5]undecane-3-carbaldehyde
SMILESO=CN1CCC2(CCNCC2)CC1
InChIInChI=1S/C10H18N2O/c13-9-12-7-3-10(4-8-12)1-5-11-6-2-10/h9,11H,1-8H2
InChIKeyVQHJQHUGWXVWMU-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds1

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

3,9-diazaspiro[5.5]undecane-3-carbaldehyde (PubChem CID 83618520) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,9-diazaspiro[5.5]undecane-3-carbaldehyde.

Molecular Properties

Compound Name3,9-diazaspiro[5.5]undecane-3-carbaldehyde
PubChem CID83618520
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,9-diazaspiro[5.5]undecane-3-carbaldehyde
SMILESO=CN1CCC2(CCNCC2)CC1
InChIInChI=1S/C10H18N2O/c13-9-12-7-3-10(4-8-12)1-5-11-6-2-10/h9,11H,1-8H2
InChIKeyVQHJQHUGWXVWMU-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
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 3,9-diazaspiro[5.5]undecane-3-carbaldehyde?
The IUPAC name of 3,9-diazaspiro[5.5]undecane-3-carbaldehyde (CID 83618520) is 3,9-diazaspiro[5.5]undecane-3-carbaldehyde.
What is the SMILES notation for 3,9-diazaspiro[5.5]undecane-3-carbaldehyde?
The canonical SMILES for 3,9-diazaspiro[5.5]undecane-3-carbaldehyde is O=CN1CCC2(CCNCC2)CC1.
What is the InChIKey of 3,9-diazaspiro[5.5]undecane-3-carbaldehyde?
The InChIKey is VQHJQHUGWXVWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c13-9-12-7-3-10(4-8-12)1-5-11-6-2-10/h9,11H,1-8H2.
What are the key properties of 3,9-diazaspiro[5.5]undecane-3-carbaldehyde?
3,9-diazaspiro[5.5]undecane-3-carbaldehyde has a molecular weight of 182.27 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazaspiro[5.5]undecane-3-carbaldehyde is sourced from PubChem (CID 83618520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).