2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde

C23H34N2O — CID 118666501

IUPAC2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde
SMILESCN(C)C1(C2CCCC2)CCC2(CCN(c3ccccc3C=O)C2)CC1
InChIInChI=1S/C23H34N2O/c1-24(2)23(20-8-4-5-9-20)13-11-22(12-14-23)15-16-25(18-22)21-10-6-3-7-19(21)17-26/h3,6-7,10,17,20H,4-5,8-9,11-16,18H2,1-2H3
InChIKeyICZREGCNRBRXHD-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.76
Rot. Bonds4

About 2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde

2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde (PubChem CID 118666501) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde.

Molecular Properties

Compound Name2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde
PubChem CID118666501
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde
SMILESCN(C)C1(C2CCCC2)CCC2(CCN(c3ccccc3C=O)C2)CC1
InChIInChI=1S/C23H34N2O/c1-24(2)23(20-8-4-5-9-20)13-11-22(12-14-23)15-16-25(18-22)21-10-6-3-7-19(21)17-26/h3,6-7,10,17,20H,4-5,8-9,11-16,18H2,1-2H3
InChIKeyICZREGCNRBRXHD-UHFFFAOYSA-N
XLogP4.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde?
The IUPAC name of 2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde (CID 118666501) is 2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde.
What is the SMILES notation for 2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde?
The canonical SMILES for 2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde is CN(C)C1(C2CCCC2)CCC2(CCN(c3ccccc3C=O)C2)CC1.
What is the InChIKey of 2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde?
The InChIKey is ICZREGCNRBRXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-24(2)23(20-8-4-5-9-20)13-11-22(12-14-23)15-16-25(18-22)21-10-6-3-7-19(21)17-26/h3,6-7,10,17,20H,4-5,8-9,11-16,18H2,1-2H3.
What are the key properties of 2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde?
2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde has a molecular weight of 354.54 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde is sourced from PubChem (CID 118666501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).