1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine

C15H22N4O — CID 81468581

IUPAC1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESCOc1cccc(N2C(N)=NCC23CC(C)N(C)C3)c1
InChIInChI=1S/C15H22N4O/c1-11-8-15(10-18(11)2)9-17-14(16)19(15)12-5-4-6-13(7-12)20-3/h4-7,11H,8-10H2,1-3H3,(H2,16,17)
InChIKeyYOFDCZRLPWEZCX-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.29
Rot. Bonds2

About 1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine

1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (PubChem CID 81468581) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
PubChem CID81468581
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESCOc1cccc(N2C(N)=NCC23CC(C)N(C)C3)c1
InChIInChI=1S/C15H22N4O/c1-11-8-15(10-18(11)2)9-17-14(16)19(15)12-5-4-6-13(7-12)20-3/h4-7,11H,8-10H2,1-3H3,(H2,16,17)
InChIKeyYOFDCZRLPWEZCX-UHFFFAOYSA-N
XLogP1.29
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79502758
1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514492
5-(2-methoxyethyl)-1-(3-methoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79514113
1-(3-methoxyphenyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine
CID 79502759
5-ethyl-5-(methoxymethyl)-1-(3-methoxyphenyl)-4H-imidazol-2-amine
CID 79514339
5-(2-methoxy-2-methylpropyl)-1-(3-methoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79501421
5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 79498361
2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824911
8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79504845
8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79515126
1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
CID 79500130
1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79497681

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (CID 81468581) is 1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is COc1cccc(N2C(N)=NCC23CC(C)N(C)C3)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The InChIKey is YOFDCZRLPWEZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-8-15(10-18(11)2)9-17-14(16)19(15)12-5-4-6-13(7-12)20-3/h4-7,11H,8-10H2,1-3H3,(H2,16,17).
What are the key properties of 1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine has a molecular weight of 274.37 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 81468581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).