2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine

C15H21N3O2 — CID 106824911

IUPAC2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCCOC1CC2(CN=C(N)N2c2ccc(OC)cc2)C1
InChIInChI=1S/C15H21N3O2/c1-3-20-13-8-15(9-13)10-17-14(16)18(15)11-4-6-12(19-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3,(H2,16,17)
InChIKeyCCRWOYMKGQQHAL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds4

About 2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine

2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine (PubChem CID 106824911) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine.

Molecular Properties

Compound Name2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
PubChem CID106824911
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCCOC1CC2(CN=C(N)N2c2ccc(OC)cc2)C1
InChIInChI=1S/C15H21N3O2/c1-3-20-13-8-15(9-13)10-17-14(16)18(15)11-4-6-12(19-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3,(H2,16,17)
InChIKeyCCRWOYMKGQQHAL-UHFFFAOYSA-N
XLogP1.77
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine
CID 88868
1-(4-Ethoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 6603416
1-(4-Methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 9551963
1,3,5-Triazine-2,4-diamine, 1-(4-ethoxyphenyl)-1,6-dihydro-6,6-dimethyl-
CID 409219
N-(4-methoxyphenyl)imidazolidin-2-imine
CID 411679
1,3,5-Triazine-2,4-diamine, 1-(4-butoxyphenyl)-1,6-dihydro-6,6-dimethyl-, hydrochloride
CID 153377
1-(4-Butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 153378
10-(4-Methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine
CID 3241249
10-(4-Methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride
CID 6603575
6,6-Dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 15289761
1-(4-Hexoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 15289762
6,6-Dimethyl-1-(4-propoxyphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 24196123

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The IUPAC name of 2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine (CID 106824911) is 2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine.
What is the SMILES notation for 2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The canonical SMILES for 2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine is CCOC1CC2(CN=C(N)N2c2ccc(OC)cc2)C1.
What is the InChIKey of 2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The InChIKey is CCRWOYMKGQQHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-20-13-8-15(9-13)10-17-14(16)18(15)11-4-6-12(19-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3,(H2,16,17).
What are the key properties of 2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine has a molecular weight of 275.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine is sourced from PubChem (CID 106824911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).