2-benzyl-2,7-diazaspiro[4.4]nonane

C14H20N2 — CID 42614542

IUPAC2-benzyl-2,7-diazaspiro[4.4]nonane
SMILESc1ccc(CN2CCC3(CCNC3)C2)cc1
InChIInChI=1S/C14H20N2/c1-2-4-13(5-3-1)10-16-9-7-14(12-16)6-8-15-11-14/h1-5,15H,6-12H2
InChIKeyZLFPWTIKFBLPGM-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.87
Rot. Bonds2

About 2-benzyl-2,7-diazaspiro[4.4]nonane

2-benzyl-2,7-diazaspiro[4.4]nonane (PubChem CID 42614542) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-benzyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-benzyl-2,7-diazaspiro[4.4]nonane
PubChem CID42614542
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-benzyl-2,7-diazaspiro[4.4]nonane
SMILESc1ccc(CN2CCC3(CCNC3)C2)cc1
InChIInChI=1S/C14H20N2/c1-2-4-13(5-3-1)10-16-9-7-14(12-16)6-8-15-11-14/h1-5,15H,6-12H2
InChIKeyZLFPWTIKFBLPGM-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-benzyl-2,7-diazaspiro[4.4]nonane (CID 42614542) is 2-benzyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-benzyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-benzyl-2,7-diazaspiro[4.4]nonane is c1ccc(CN2CCC3(CCNC3)C2)cc1.
What is the InChIKey of 2-benzyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is ZLFPWTIKFBLPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-4-13(5-3-1)10-16-9-7-14(12-16)6-8-15-11-14/h1-5,15H,6-12H2.
What are the key properties of 2-benzyl-2,7-diazaspiro[4.4]nonane?
2-benzyl-2,7-diazaspiro[4.4]nonane has a molecular weight of 216.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 42614542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).