7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C18H23N3 — CID 91148873

IUPAC7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC=C1CC2(CCC1=C(C)c1ccccc1)CN=C(N)N2
InChIInChI=1S/C18H23N3/c1-3-14-11-18(12-20-17(19)21-18)10-9-16(14)13(2)15-7-5-4-6-8-15/h3-8H,9-12H2,1-2H3,(H3,19,20,21)
InChIKeyFGALHOPZSTYEQM-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.25
Rot. Bonds1

About 7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine

7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 91148873) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID91148873
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC=C1CC2(CCC1=C(C)c1ccccc1)CN=C(N)N2
InChIInChI=1S/C18H23N3/c1-3-14-11-18(12-20-17(19)21-18)10-9-16(14)13(2)15-7-5-4-6-8-15/h3-8H,9-12H2,1-2H3,(H3,19,20,21)
InChIKeyFGALHOPZSTYEQM-UHFFFAOYSA-N
XLogP3.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 91148873) is 7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC=C1CC2(CCC1=C(C)c1ccccc1)CN=C(N)N2.
What is the InChIKey of 7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is FGALHOPZSTYEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-14-11-18(12-20-17(19)21-18)10-9-16(14)13(2)15-7-5-4-6-8-15/h3-8H,9-12H2,1-2H3,(H3,19,20,21).
What are the key properties of 7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylidene-8-(1-phenylethylidene)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 91148873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).