1,9-diazaspiro[5.5]undecane-1-carbaldehyde

C10H18N2O — CID 83618527

IUPAC1,9-diazaspiro[5.5]undecane-1-carbaldehyde
SMILESO=CN1CCCCC12CCNCC2
InChIInChI=1S/C10H18N2O/c13-9-12-8-2-1-3-10(12)4-6-11-7-5-10/h9,11H,1-8H2
InChIKeyLKPFKOQSFLLYBU-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.75
Rot. Bonds1

About 1,9-diazaspiro[5.5]undecane-1-carbaldehyde

1,9-diazaspiro[5.5]undecane-1-carbaldehyde (PubChem CID 83618527) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1,9-diazaspiro[5.5]undecane-1-carbaldehyde.

Molecular Properties

Compound Name1,9-diazaspiro[5.5]undecane-1-carbaldehyde
PubChem CID83618527
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1,9-diazaspiro[5.5]undecane-1-carbaldehyde
SMILESO=CN1CCCCC12CCNCC2
InChIInChI=1S/C10H18N2O/c13-9-12-8-2-1-3-10(12)4-6-11-7-5-10/h9,11H,1-8H2
InChIKeyLKPFKOQSFLLYBU-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,8-diazaspiro[4.5]decane-1-carbaldehyde
CID 83618513
4-azaspiro[2.4]heptane-4-carbaldehyde
CID 166139649
4,7-diazaspiro[2.5]octane-4-carbaldehyde
CID 142744733
azane;4-piperidin-1-ylpiperidine-4-carbaldehyde
CID 142887669
1,4,7,10-tetrazacyclododecane-1,7-dicarbaldehyde
CID 88945771
1,7-diazacyclododecane-1-carbaldehyde
CID 123495230
1-methyl-1,7-diazaspiro[4.4]nonane
CID 52988115
(5S)-1-methyl-1,7-diazaspiro[4.4]nonane
CID 86326981
1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarbaldehyde
CID 59865490
1,7-diazaspiro[4.4]nonane-1-carboxamide
CID 91618521
1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931
4-azaspiro[2.4]heptane-4-carbaldehyde;ethane;(3Z)-hexa-1,3,5-triene;1-pyrrolidin-1-ylhexane-1,5-dione
CID 178108739

Frequently Asked Questions

What is the IUPAC name of 1,9-diazaspiro[5.5]undecane-1-carbaldehyde?
The IUPAC name of 1,9-diazaspiro[5.5]undecane-1-carbaldehyde (CID 83618527) is 1,9-diazaspiro[5.5]undecane-1-carbaldehyde.
What is the SMILES notation for 1,9-diazaspiro[5.5]undecane-1-carbaldehyde?
The canonical SMILES for 1,9-diazaspiro[5.5]undecane-1-carbaldehyde is O=CN1CCCCC12CCNCC2.
What is the InChIKey of 1,9-diazaspiro[5.5]undecane-1-carbaldehyde?
The InChIKey is LKPFKOQSFLLYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c13-9-12-8-2-1-3-10(12)4-6-11-7-5-10/h9,11H,1-8H2.
What are the key properties of 1,9-diazaspiro[5.5]undecane-1-carbaldehyde?
1,9-diazaspiro[5.5]undecane-1-carbaldehyde has a molecular weight of 182.27 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diazaspiro[5.5]undecane-1-carbaldehyde is sourced from PubChem (CID 83618527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).