1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H21N3 — CID 79506525

IUPAC1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCCC2)N1Cc1ccccc1
InChIInChI=1S/C15H21N3/c16-14-17-12-15(9-5-2-6-10-15)18(14)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,16,17)
InChIKeyRKAIYRUZBIRTNF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.52
Rot. Bonds2

About 1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79506525) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79506525
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCCC2)N1Cc1ccccc1
InChIInChI=1S/C15H21N3/c16-14-17-12-15(9-5-2-6-10-15)18(14)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,16,17)
InChIKeyRKAIYRUZBIRTNF-UHFFFAOYSA-N
XLogP2.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79506525) is 1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCCCC2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is RKAIYRUZBIRTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-14-17-12-15(9-5-2-6-10-15)18(14)11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,16,17).
What are the key properties of 1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79506525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).