7-benzyl-2,7-diazaspiro[3.5]nonane;ethane

C16H26N2 — CID 145233671

IUPAC7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
SMILESCC.c1ccc(CN2CCC3(CC2)CNC3)cc1
InChIInChI=1S/C14H20N2.C2H6/c1-2-4-13(5-3-1)10-16-8-6-14(7-9-16)11-15-12-14;1-2/h1-5,15H,6-12H2;1-2H3
InChIKeyIPJFORZTKWJAGP-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.90
Rot. Bonds2

About 7-benzyl-2,7-diazaspiro[3.5]nonane;ethane

7-benzyl-2,7-diazaspiro[3.5]nonane;ethane (PubChem CID 145233671) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 7-benzyl-2,7-diazaspiro[3.5]nonane;ethane.

Molecular Properties

Compound Name7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
PubChem CID145233671
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
SMILESCC.c1ccc(CN2CCC3(CC2)CNC3)cc1
InChIInChI=1S/C14H20N2.C2H6/c1-2-4-13(5-3-1)10-16-8-6-14(7-9-16)11-15-12-14;1-2/h1-5,15H,6-12H2;1-2H3
InChIKeyIPJFORZTKWJAGP-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
CID 57416961
1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane
CID 138056197
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
9-benzyl-3-(1-fluoro-2-methylpropan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 170703028
azane;1-benzylpiperazine
CID 174866973
3-benzyl-3,9-diazaspiro[5.5]undecane;tert-butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 159956828

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2,7-diazaspiro[3.5]nonane;ethane?
The IUPAC name of 7-benzyl-2,7-diazaspiro[3.5]nonane;ethane (CID 145233671) is 7-benzyl-2,7-diazaspiro[3.5]nonane;ethane.
What is the SMILES notation for 7-benzyl-2,7-diazaspiro[3.5]nonane;ethane?
The canonical SMILES for 7-benzyl-2,7-diazaspiro[3.5]nonane;ethane is CC.c1ccc(CN2CCC3(CC2)CNC3)cc1.
What is the InChIKey of 7-benzyl-2,7-diazaspiro[3.5]nonane;ethane?
The InChIKey is IPJFORZTKWJAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C2H6/c1-2-4-13(5-3-1)10-16-8-6-14(7-9-16)11-15-12-14;1-2/h1-5,15H,6-12H2;1-2H3.
What are the key properties of 7-benzyl-2,7-diazaspiro[3.5]nonane;ethane?
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane has a molecular weight of 246.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2,7-diazaspiro[3.5]nonane;ethane is sourced from PubChem (CID 145233671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).