2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane

C17H24ClN — CID 71646570

IUPAC2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane
SMILESClCC1CCC2(CC1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C17H24ClN/c18-12-15-6-8-17(9-7-15)10-11-19(14-17)13-16-4-2-1-3-5-16/h1-5,15H,6-14H2
InChIKeyPDDTWTMAWXWYNV-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.31
Rot. Bonds3

About 2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane

2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane (PubChem CID 71646570) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is 2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane
PubChem CID71646570
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane
SMILESClCC1CCC2(CC1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C17H24ClN/c18-12-15-6-8-17(9-7-15)10-11-19(14-17)13-16-4-2-1-3-5-16/h1-5,15H,6-14H2
InChIKeyPDDTWTMAWXWYNV-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine
CID 98089072
6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane
CID 71650612
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
2-benzyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 136518555
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435
5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904553
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
CID 145071819
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane?
The IUPAC name of 2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane (CID 71646570) is 2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane?
The canonical SMILES for 2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane is ClCC1CCC2(CC1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane?
The InChIKey is PDDTWTMAWXWYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c18-12-15-6-8-17(9-7-15)10-11-19(14-17)13-16-4-2-1-3-5-16/h1-5,15H,6-14H2.
What are the key properties of 2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane?
2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane has a molecular weight of 277.84 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 71646570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).