2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine

C11H19N3O — CID 106824899

IUPAC2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESC=CCN1C(N)=NCC12CC(OCC)C2
InChIInChI=1S/C11H19N3O/c1-3-5-14-10(12)13-8-11(14)6-9(7-11)15-4-2/h3,9H,1,4-8H2,2H3,(H2,12,13)
InChIKeyQNVJZHBMUKEFIF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.74
Rot. Bonds4

About 2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine

2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine (PubChem CID 106824899) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine.

Molecular Properties

Compound Name2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
PubChem CID106824899
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESC=CCN1C(N)=NCC12CC(OCC)C2
InChIInChI=1S/C11H19N3O/c1-3-5-14-10(12)13-8-11(14)6-9(7-11)15-4-2/h3,9H,1,4-8H2,2H3,(H2,12,13)
InChIKeyQNVJZHBMUKEFIF-UHFFFAOYSA-N
XLogP0.74
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79497281
1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498418
2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824919
2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824911
5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine
CID 79497656
6,6-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79852712
5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine
CID 79498835
5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79498038
5-(4-bromophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79497489
5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
CID 79498722
5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79498225
5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79498707

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The IUPAC name of 2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine (CID 106824899) is 2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine.
What is the SMILES notation for 2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The canonical SMILES for 2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine is C=CCN1C(N)=NCC12CC(OCC)C2.
What is the InChIKey of 2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The InChIKey is QNVJZHBMUKEFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-14-10(12)13-8-11(14)6-9(7-11)15-4-2/h3,9H,1,4-8H2,2H3,(H2,12,13).
What are the key properties of 2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine has a molecular weight of 209.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine is sourced from PubChem (CID 106824899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).