8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C14H20N4 — CID 79509458

IUPAC8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C14H20N4/c15-13-16-11-14(17-13)6-8-18(9-7-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H3,15,16,17)
InChIKeyAEWSIPZFTSPCBU-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.94
Rot. Bonds2

About 8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79509458) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79509458
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C14H20N4/c15-13-16-11-14(17-13)6-8-18(9-7-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H3,15,16,17)
InChIKeyAEWSIPZFTSPCBU-UHFFFAOYSA-N
XLogP0.94
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79509458) is 8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCN(Cc3ccccc3)CC2)N1.
What is the InChIKey of 8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is AEWSIPZFTSPCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-13-16-11-14(17-13)6-8-18(9-7-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H3,15,16,17).
What are the key properties of 8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 244.34 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79509458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).