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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Related Compounds

2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone
CID 171415786
4-propan-2-yl-1,4-diazepane-1-carbaldehyde
CID 87764611
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
6-but-3-en-2-yl-6-azaspiro[3.5]nonane
CID 130905971
2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone
CID 171415708
N-methyl-2-propan-2-yl-2,8-diazaspiro[5.6]dodecan-8-amine
CID 167259118
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane
CID 167259305

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).