9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane

C18H28N2 — CID 64877176

IUPAC9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
SMILESCCCC1CNC2(CCCC2)CN1Cc1ccccc1
InChIInChI=1S/C18H28N2/c1-2-8-17-13-19-18(11-6-7-12-18)15-20(17)14-16-9-4-3-5-10-16/h3-5,9-10,17,19H,2,6-8,11-15H2,1H3
InChIKeyUDGNGSFDQVYBDA-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.57
Rot. Bonds4

About 9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane

9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane (PubChem CID 64877176) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
PubChem CID64877176
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
SMILESCCCC1CNC2(CCCC2)CN1Cc1ccccc1
InChIInChI=1S/C18H28N2/c1-2-8-17-13-19-18(11-6-7-12-18)15-20(17)14-16-9-4-3-5-10-16/h3-5,9-10,17,19H,2,6-8,11-15H2,1H3
InChIKeyUDGNGSFDQVYBDA-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane (CID 64877176) is 9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane is CCCC1CNC2(CCCC2)CN1Cc1ccccc1.
What is the InChIKey of 9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane?
The InChIKey is UDGNGSFDQVYBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-8-17-13-19-18(11-6-7-12-18)15-20(17)14-16-9-4-3-5-10-16/h3-5,9-10,17,19H,2,6-8,11-15H2,1H3.
What are the key properties of 9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane?
9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane has a molecular weight of 272.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).