2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde

C19H28N2O — CID 164923692

IUPAC2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde
SMILESO=CCN1CCCC2(CCC1)CCN(c1ccccc1)CC2
InChIInChI=1S/C19H28N2O/c22-17-16-20-12-4-8-19(9-5-13-20)10-14-21(15-11-19)18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16H2
InChIKeyMLGGQSTYYNBZJW-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.35
Rot. Bonds3

About 2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde

2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde (PubChem CID 164923692) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde
PubChem CID164923692
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde
SMILESO=CCN1CCCC2(CCC1)CCN(c1ccccc1)CC2
InChIInChI=1S/C19H28N2O/c22-17-16-20-12-4-8-19(9-5-13-20)10-14-21(15-11-19)18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16H2
InChIKeyMLGGQSTYYNBZJW-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;2-(2-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)acetaldehyde;5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923370
3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane
CID 59367733
2-[3-[3,5-difluoro-4-[2-(2-fluoro-2-methylpropyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]-3,10-diazaspiro[5.6]dodecan-10-yl]acetaldehyde;methanol
CID 164924455
methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane
CID 142117745
3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde
CID 87478699
N-(4-methyl-1-phenylpiperidin-4-yl)formamide
CID 174968105
2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde
CID 130986180
N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 171070048
2-(4,4-dimethylazepan-1-yl)acetaldehyde
CID 65282481
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzaldehyde
CID 87406619
2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde
CID 164923450
3-[[4-(3-azaspiro[5.5]undecan-3-yl)phenyl]methylideneamino]benzoic acid;hydrochloride
CID 54600140

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde?
The IUPAC name of 2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde (CID 164923692) is 2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde.
What is the SMILES notation for 2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde?
The canonical SMILES for 2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde is O=CCN1CCCC2(CCC1)CCN(c1ccccc1)CC2.
What is the InChIKey of 2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde?
The InChIKey is MLGGQSTYYNBZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c22-17-16-20-12-4-8-19(9-5-13-20)10-14-21(15-11-19)18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16H2.
What are the key properties of 2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde?
2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde has a molecular weight of 300.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde is sourced from PubChem (CID 164923692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).