1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C16H23N3 — CID 79510384

IUPAC1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCN1C(N)=NCC12CCC(c1ccccc1)CC2
InChIInChI=1S/C16H23N3/c1-2-19-15(17)18-12-16(19)10-8-14(9-11-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,17,18)
InChIKeyPLERADZHDMEBRL-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.73
Rot. Bonds2

About 1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79510384) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79510384
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCN1C(N)=NCC12CCC(c1ccccc1)CC2
InChIInChI=1S/C16H23N3/c1-2-19-15(17)18-12-16(19)10-8-14(9-11-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,17,18)
InChIKeyPLERADZHDMEBRL-UHFFFAOYSA-N
XLogP2.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79510384) is 1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCN1C(N)=NCC12CCC(c1ccccc1)CC2.
What is the InChIKey of 1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is PLERADZHDMEBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-19-15(17)18-12-16(19)10-8-14(9-11-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,17,18).
What are the key properties of 1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79510384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).