2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane

C17H26N2 — CID 83851488

IUPAC2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane
SMILESCCC1N(Cc2ccccc2)CCC12CCNCC2
InChIInChI=1S/C17H26N2/c1-2-16-17(8-11-18-12-9-17)10-13-19(16)14-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3
InChIKeyBCFUIHYOCDWJHU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.04
Rot. Bonds3

About 2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane

2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane (PubChem CID 83851488) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane
PubChem CID83851488
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane
SMILESCCC1N(Cc2ccccc2)CCC12CCNCC2
InChIInChI=1S/C17H26N2/c1-2-16-17(8-11-18-12-9-17)10-13-19(16)14-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3
InChIKeyBCFUIHYOCDWJHU-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1-methyl-2,7-diazaspiro[4.4]nonane
CID 83850406
2-benzyl-6-ethyl-2,8-diazaspiro[4.5]decane
CID 79320158
2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane
CID 79321591
2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
CID 79321420
1-benzyl-2-methyl-4-(4-methylpiperidin-4-yl)piperazine
CID 69047324
1-benzyl-7-methyl-1,4-diazepane
CID 56828058
1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931
2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 113247774
1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine
CID 83488647
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 153204590
1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
CID 130546283

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane (CID 83851488) is 2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane is CCC1N(Cc2ccccc2)CCC12CCNCC2.
What is the InChIKey of 2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane?
The InChIKey is BCFUIHYOCDWJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-16-17(8-11-18-12-9-17)10-13-19(16)14-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3.
What are the key properties of 2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane?
2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane has a molecular weight of 258.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 83851488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).