7-benzyl-2,7-diazaspiro[5.6]dodecane

C17H26N2 — CID 82623667

IUPAC7-benzyl-2,7-diazaspiro[5.6]dodecane
SMILESc1ccc(CN2CCCCCC23CCCNC3)cc1
InChIInChI=1S/C17H26N2/c1-3-8-16(9-4-1)14-19-13-6-2-5-10-17(19)11-7-12-18-15-17/h1,3-4,8-9,18H,2,5-7,10-15H2
InChIKeyWFMZVPRQCMDHBA-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.18
Rot. Bonds2

About 7-benzyl-2,7-diazaspiro[5.6]dodecane

7-benzyl-2,7-diazaspiro[5.6]dodecane (PubChem CID 82623667) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 7-benzyl-2,7-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name7-benzyl-2,7-diazaspiro[5.6]dodecane
PubChem CID82623667
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name7-benzyl-2,7-diazaspiro[5.6]dodecane
SMILESc1ccc(CN2CCCCCC23CCCNC3)cc1
InChIInChI=1S/C17H26N2/c1-3-8-16(9-4-1)14-19-13-6-2-5-10-17(19)11-7-12-18-15-17/h1,3-4,8-9,18H,2,5-7,10-15H2
InChIKeyWFMZVPRQCMDHBA-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931
(4R)-1-benzyl-1,7-diazaspiro[3.4]octane
CID 97114338
1-benzyl-1,7-diazaspiro[3.4]octane
CID 71302050
1-benzyl-4-thia-1,8-diazaspiro[5.5]undecane
CID 82380002
4-benzyl-1-thia-4,9-diazaspiro[4.5]decane
CID 169318676
1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane
CID 166301336
6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane
CID 64846799
(4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane
CID 148987341
(1,2-dibenzylazocan-2-yl)methanol
CID 102289051
6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845220
6-benzyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64877476
1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 120841687

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2,7-diazaspiro[5.6]dodecane?
The IUPAC name of 7-benzyl-2,7-diazaspiro[5.6]dodecane (CID 82623667) is 7-benzyl-2,7-diazaspiro[5.6]dodecane.
What is the SMILES notation for 7-benzyl-2,7-diazaspiro[5.6]dodecane?
The canonical SMILES for 7-benzyl-2,7-diazaspiro[5.6]dodecane is c1ccc(CN2CCCCCC23CCCNC3)cc1.
What is the InChIKey of 7-benzyl-2,7-diazaspiro[5.6]dodecane?
The InChIKey is WFMZVPRQCMDHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-8-16(9-4-1)14-19-13-6-2-5-10-17(19)11-7-12-18-15-17/h1,3-4,8-9,18H,2,5-7,10-15H2.
What are the key properties of 7-benzyl-2,7-diazaspiro[5.6]dodecane?
7-benzyl-2,7-diazaspiro[5.6]dodecane has a molecular weight of 258.41 g/mol, XLogP of 3.18, 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[5.6]dodecane is sourced from PubChem (CID 82623667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).