3-benzyl-1,3-diazaspiro[4.4]nonane

C14H20N2 — CID 15573776

IUPAC3-benzyl-1,3-diazaspiro[4.4]nonane
SMILESc1ccc(CN2CNC3(CCCC3)C2)cc1
InChIInChI=1S/C14H20N2/c1-2-6-13(7-3-1)10-16-11-14(15-12-16)8-4-5-9-14/h1-3,6-7,15H,4-5,8-12H2
InChIKeyGRPGYRFJQBAPMW-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.36
Rot. Bonds2

About 3-benzyl-1,3-diazaspiro[4.4]nonane

3-benzyl-1,3-diazaspiro[4.4]nonane (PubChem CID 15573776) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-benzyl-1,3-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name3-benzyl-1,3-diazaspiro[4.4]nonane
PubChem CID15573776
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-benzyl-1,3-diazaspiro[4.4]nonane
SMILESc1ccc(CN2CNC3(CCCC3)C2)cc1
InChIInChI=1S/C14H20N2/c1-2-6-13(7-3-1)10-16-11-14(15-12-16)8-4-5-9-14/h1-3,6-7,15H,4-5,8-12H2
InChIKeyGRPGYRFJQBAPMW-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
9-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212930
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869301
(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane
CID 97305383
1-benzyl-1,3-diazetidine
CID 67702530
10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869306
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
10-(pyridin-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64871680
9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64877176
15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane
CID 12860336
9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64832860

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,3-diazaspiro[4.4]nonane?
The IUPAC name of 3-benzyl-1,3-diazaspiro[4.4]nonane (CID 15573776) is 3-benzyl-1,3-diazaspiro[4.4]nonane.
What is the SMILES notation for 3-benzyl-1,3-diazaspiro[4.4]nonane?
The canonical SMILES for 3-benzyl-1,3-diazaspiro[4.4]nonane is c1ccc(CN2CNC3(CCCC3)C2)cc1.
What is the InChIKey of 3-benzyl-1,3-diazaspiro[4.4]nonane?
The InChIKey is GRPGYRFJQBAPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-6-13(7-3-1)10-16-11-14(15-12-16)8-4-5-9-14/h1-3,6-7,15H,4-5,8-12H2.
What are the key properties of 3-benzyl-1,3-diazaspiro[4.4]nonane?
3-benzyl-1,3-diazaspiro[4.4]nonane has a molecular weight of 216.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,3-diazaspiro[4.4]nonane is sourced from PubChem (CID 15573776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).