1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane

C22H27NSe — CID 10937861

IUPAC1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane
SMILESc1ccc(CN2C(C[Se]c3ccccc3)CC23CCCCC3)cc1
InChIInChI=1S/C22H27NSe/c1-4-10-19(11-5-1)17-23-20(16-22(23)14-8-3-9-15-22)18-24-21-12-6-2-7-13-21/h1-2,4-7,10-13,20H,3,8-9,14-18H2
InChIKeyWCNQINPZBXFEOS-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.41
Rot. Bonds5

About 1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane

1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane (PubChem CID 10937861) has the molecular formula C22H27NSe and a molecular weight of 384.42 g/mol. Its IUPAC name is 1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane.

Molecular Properties

Compound Name1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane
PubChem CID10937861
Molecular FormulaC22H27NSe
Molecular Weight384.42 g/mol
Exact Mass385.13
IUPAC Name1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane
SMILESc1ccc(CN2C(C[Se]c3ccccc3)CC23CCCCC3)cc1
InChIInChI=1S/C22H27NSe/c1-4-10-19(11-5-1)17-23-20(16-22(23)14-8-3-9-15-22)18-24-21-12-6-2-7-13-21/h1-2,4-7,10-13,20H,3,8-9,14-18H2
InChIKeyWCNQINPZBXFEOS-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,7R)-2,7-bis(phenylselanylmethyl)oxepane
CID 139264964
(1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane
CID 11782748
1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
CID 20501054
1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79506525
1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine
CID 175726887
2,3-dibenzyl-2-azaspiro[4.5]decane
CID 10990798
15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane
CID 12860336
[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 168976217
1-tert-butyl-4,4-dimethyl-2-(phenylselanylmethyl)pyrrolidine
CID 11012765
(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
CID 59130980
(1-fluorocyclohexyl)methylselanylbenzene
CID 134934022
1-benzyl-1-azaspiro[5.5]undecan-3-one
CID 102381827

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane?
The IUPAC name of 1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane (CID 10937861) is 1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane.
What is the SMILES notation for 1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane?
The canonical SMILES for 1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane is c1ccc(CN2C(C[Se]c3ccccc3)CC23CCCCC3)cc1.
What is the InChIKey of 1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane?
The InChIKey is WCNQINPZBXFEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NSe/c1-4-10-19(11-5-1)17-23-20(16-22(23)14-8-3-9-15-22)18-24-21-12-6-2-7-13-21/h1-2,4-7,10-13,20H,3,8-9,14-18H2.
What are the key properties of 1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane?
1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane has a molecular weight of 384.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane is sourced from PubChem (CID 10937861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).