2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane

C18H28N2 — CID 79321591

IUPAC2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane
SMILESCCCC1CNCCC12CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H28N2/c1-2-6-17-13-19-11-9-18(17)10-12-20(15-18)14-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9-15H2,1H3
InChIKeyQQHJHHDJOTVANH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.29
Rot. Bonds4

About 2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane

2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane (PubChem CID 79321591) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane
PubChem CID79321591
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane
SMILESCCCC1CNCCC12CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H28N2/c1-2-6-17-13-19-11-9-18(17)10-12-20(15-18)14-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9-15H2,1H3
InChIKeyQQHJHHDJOTVANH-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-6-ethyl-2,8-diazaspiro[4.5]decane
CID 79320158
2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
CID 79321420
2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 113247774
2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 79310836
3'-propylspiro[1,3-dihydroindene-2,4'-piperidine]
CID 79320324
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane
CID 83851488
3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 153204590
2-benzyl-2,10-diazaspiro[4.6]undecan-6-ol
CID 83488694
(11R)-3-benzyl-11-butyl-3,9-diazaspiro[5.5]undecan-10-one
CID 68855653
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane (CID 79321591) is 2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane is CCCC1CNCCC12CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane?
The InChIKey is QQHJHHDJOTVANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-6-17-13-19-11-9-18(17)10-12-20(15-18)14-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9-15H2,1H3.
What are the key properties of 2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane?
2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane has a molecular weight of 272.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 79321591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).