9-benzyl-1,9-diazaspiro[5.5]undecane

C16H24N2 — CID 25212930

IUPAC9-benzyl-1,9-diazaspiro[5.5]undecane
SMILESc1ccc(CN2CCC3(CCCCN3)CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-6-15(7-3-1)14-18-12-9-16(10-13-18)8-4-5-11-17-16/h1-3,6-7,17H,4-5,8-14H2
InChIKeyKPTIPFMUKHVJGL-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.79
Rot. Bonds2

About 9-benzyl-1,9-diazaspiro[5.5]undecane

9-benzyl-1,9-diazaspiro[5.5]undecane (PubChem CID 25212930) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 9-benzyl-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-benzyl-1,9-diazaspiro[5.5]undecane
PubChem CID25212930
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name9-benzyl-1,9-diazaspiro[5.5]undecane
SMILESc1ccc(CN2CCC3(CCCCN3)CC2)cc1
InChIInChI=1S/C16H24N2/c1-2-6-15(7-3-1)14-18-12-9-16(10-13-18)8-4-5-11-17-16/h1-3,6-7,17H,4-5,8-14H2
InChIKeyKPTIPFMUKHVJGL-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.79
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
1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627
(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane
CID 97305383
9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 58299624
3-benzyl-1,3-diazaspiro[4.4]nonane
CID 15573776
2-benzyl-2,6-diazaspiro[4.5]decan-9-one
CID 22291215
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
1-benzylazepane
CID 10954328
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869301
8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79509458

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-benzyl-1,9-diazaspiro[5.5]undecane (CID 25212930) is 9-benzyl-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-benzyl-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-benzyl-1,9-diazaspiro[5.5]undecane is c1ccc(CN2CCC3(CCCCN3)CC2)cc1.
What is the InChIKey of 9-benzyl-1,9-diazaspiro[5.5]undecane?
The InChIKey is KPTIPFMUKHVJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-6-15(7-3-1)14-18-12-9-16(10-13-18)8-4-5-11-17-16/h1-3,6-7,17H,4-5,8-14H2.
What are the key properties of 9-benzyl-1,9-diazaspiro[5.5]undecane?
9-benzyl-1,9-diazaspiro[5.5]undecane has a molecular weight of 244.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 25212930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).