2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine

C15H21N3O — CID 106824919

IUPAC2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCCOC1CC2(CN=C(N)N2c2ccccc2C)C1
InChIInChI=1S/C15H21N3O/c1-3-19-12-8-15(9-12)10-17-14(16)18(15)13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H2,16,17)
InChIKeySBLYDJCJOZHCAM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.07
Rot. Bonds3

About 2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine

2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine (PubChem CID 106824919) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine.

Molecular Properties

Compound Name2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
PubChem CID106824919
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCCOC1CC2(CN=C(N)N2c2ccccc2C)C1
InChIInChI=1S/C15H21N3O/c1-3-19-12-8-15(9-12)10-17-14(16)18(15)13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H2,16,17)
InChIKeySBLYDJCJOZHCAM-UHFFFAOYSA-N
XLogP2.07
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824911
7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499043
7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505403
1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505398
5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 79505259
1-(2-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine
CID 79505397
5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 79500616
7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79947415
5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565687
2-ethoxy-5-prop-2-enyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824899
1-(2-chlorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874960
1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505721

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The IUPAC name of 2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine (CID 106824919) is 2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine.
What is the SMILES notation for 2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The canonical SMILES for 2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine is CCOC1CC2(CN=C(N)N2c2ccccc2C)C1.
What is the InChIKey of 2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The InChIKey is SBLYDJCJOZHCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-19-12-8-15(9-12)10-17-14(16)18(15)13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H2,16,17).
What are the key properties of 2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine has a molecular weight of 259.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine is sourced from PubChem (CID 106824919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).