3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane

C17H26N2 — CID 64878204

IUPAC3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
SMILESCN1CC2(CCCCC2)NCC1Cc1ccccc1
InChIInChI=1S/C17H26N2/c1-19-14-17(10-6-3-7-11-17)18-13-16(19)12-15-8-4-2-5-9-15/h2,4-5,8-9,16,18H,3,6-7,10-14H2,1H3
InChIKeyLFHFTXKQFJBVAZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.84
Rot. Bonds2

About 3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane

3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64878204) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID64878204
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
SMILESCN1CC2(CCCCC2)NCC1Cc1ccccc1
InChIInChI=1S/C17H26N2/c1-19-14-17(10-6-3-7-11-17)18-13-16(19)12-15-8-4-2-5-9-15/h2,4-5,8-9,16,18H,3,6-7,10-14H2,1H3
InChIKeyLFHFTXKQFJBVAZ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-4-ethyl-1,4-diazaspiro[5.5]undecane
CID 64877822
8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane
CID 80696882
3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane
CID 64878013
9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64877176
(2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
CID 102595479
8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane
CID 112752388
(2R)-2-benzyl-1-methylaziridine
CID 87174257
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241
3-tert-butyl-4-(2-phenylmethoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 112752390
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062
2-benzyl-1,5-dimethylpiperazine
CID 64844005

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane (CID 64878204) is 3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane is CN1CC2(CCCCC2)NCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is LFHFTXKQFJBVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-19-14-17(10-6-3-7-11-17)18-13-16(19)12-15-8-4-2-5-9-15/h2,4-5,8-9,16,18H,3,6-7,10-14H2,1H3.
What are the key properties of 3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane?
3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 258.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64878204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).