1-benzyl-1,7-diazaspiro[4.4]nonane

C14H20N2 — CID 15634713

IUPAC1-benzyl-1,7-diazaspiro[4.4]nonane
SMILESc1ccc(CN2CCCC23CCNC3)cc1
InChIInChI=1S/C14H20N2/c1-2-5-13(6-3-1)11-16-10-4-7-14(16)8-9-15-12-14/h1-3,5-6,15H,4,7-12H2
InChIKeyYIZAKHJUGTXWTG-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.01
Rot. Bonds2

About 1-benzyl-1,7-diazaspiro[4.4]nonane

1-benzyl-1,7-diazaspiro[4.4]nonane (PubChem CID 15634713) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-benzyl-1,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name1-benzyl-1,7-diazaspiro[4.4]nonane
PubChem CID15634713
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-benzyl-1,7-diazaspiro[4.4]nonane
SMILESc1ccc(CN2CCCC23CCNC3)cc1
InChIInChI=1S/C14H20N2/c1-2-5-13(6-3-1)11-16-10-4-7-14(16)8-9-15-12-14/h1-3,5-6,15H,4,7-12H2
InChIKeyYIZAKHJUGTXWTG-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,7-diazaspiro[4.4]nonane?
The IUPAC name of 1-benzyl-1,7-diazaspiro[4.4]nonane (CID 15634713) is 1-benzyl-1,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 1-benzyl-1,7-diazaspiro[4.4]nonane?
The canonical SMILES for 1-benzyl-1,7-diazaspiro[4.4]nonane is c1ccc(CN2CCCC23CCNC3)cc1.
What is the InChIKey of 1-benzyl-1,7-diazaspiro[4.4]nonane?
The InChIKey is YIZAKHJUGTXWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-5-13(6-3-1)11-16-10-4-7-14(16)8-9-15-12-14/h1-3,5-6,15H,4,7-12H2.
What are the key properties of 1-benzyl-1,7-diazaspiro[4.4]nonane?
1-benzyl-1,7-diazaspiro[4.4]nonane has a molecular weight of 216.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 15634713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).