1,8-diazaspiro[4.5]decane-1-carbaldehyde

C9H16N2O — CID 83618513

IUPAC1,8-diazaspiro[4.5]decane-1-carbaldehyde
SMILESO=CN1CCCC12CCNCC2
InChIInChI=1S/C9H16N2O/c12-8-11-7-1-2-9(11)3-5-10-6-4-9/h8,10H,1-7H2
InChIKeyWUAFSCMVZUQOJY-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.36
Rot. Bonds1

About 1,8-diazaspiro[4.5]decane-1-carbaldehyde

1,8-diazaspiro[4.5]decane-1-carbaldehyde (PubChem CID 83618513) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,8-diazaspiro[4.5]decane-1-carbaldehyde.

Molecular Properties

Compound Name1,8-diazaspiro[4.5]decane-1-carbaldehyde
PubChem CID83618513
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1,8-diazaspiro[4.5]decane-1-carbaldehyde
SMILESO=CN1CCCC12CCNCC2
InChIInChI=1S/C9H16N2O/c12-8-11-7-1-2-9(11)3-5-10-6-4-9/h8,10H,1-7H2
InChIKeyWUAFSCMVZUQOJY-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.36
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 1,8-diazaspiro[4.5]decane-1-carbaldehyde?
The IUPAC name of 1,8-diazaspiro[4.5]decane-1-carbaldehyde (CID 83618513) is 1,8-diazaspiro[4.5]decane-1-carbaldehyde.
What is the SMILES notation for 1,8-diazaspiro[4.5]decane-1-carbaldehyde?
The canonical SMILES for 1,8-diazaspiro[4.5]decane-1-carbaldehyde is O=CN1CCCC12CCNCC2.
What is the InChIKey of 1,8-diazaspiro[4.5]decane-1-carbaldehyde?
The InChIKey is WUAFSCMVZUQOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-8-11-7-1-2-9(11)3-5-10-6-4-9/h8,10H,1-7H2.
What are the key properties of 1,8-diazaspiro[4.5]decane-1-carbaldehyde?
1,8-diazaspiro[4.5]decane-1-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazaspiro[4.5]decane-1-carbaldehyde is sourced from PubChem (CID 83618513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).