8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde

C11H20N2O — CID 171415652

IUPAC8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde
SMILESCC(C)N1CCCC2(CN(C=O)C2)C1
InChIInChI=1S/C11H20N2O/c1-10(2)13-5-3-4-11(8-13)6-12(7-11)9-14/h9-10H,3-8H2,1-2H3
InChIKeyAENPOYRADSWTMA-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds2

About 8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde

8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde (PubChem CID 171415652) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde.

Molecular Properties

Compound Name8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde
PubChem CID171415652
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde
SMILESCC(C)N1CCCC2(CN(C=O)C2)C1
InChIInChI=1S/C11H20N2O/c1-10(2)13-5-3-4-11(8-13)6-12(7-11)9-14/h9-10H,3-8H2,1-2H3
InChIKeyAENPOYRADSWTMA-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde?
The IUPAC name of 8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde (CID 171415652) is 8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde.
What is the SMILES notation for 8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde?
The canonical SMILES for 8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde is CC(C)N1CCCC2(CN(C=O)C2)C1.
What is the InChIKey of 8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde?
The InChIKey is AENPOYRADSWTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2)13-5-3-4-11(8-13)6-12(7-11)9-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde?
8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde has a molecular weight of 196.29 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde is sourced from PubChem (CID 171415652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).