1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

C16H24N4O — CID 79497681

IUPAC1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCOc1ccc(N2C(N)=NCC23CCCN(C)CC3)cc1
InChIInChI=1S/C16H24N4O/c1-19-10-3-8-16(9-11-19)12-18-15(17)20(16)13-4-6-14(21-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H2,17,18)
InChIKeyFLSMNAKWITVILD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.68
Rot. Bonds2

About 1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79497681) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
PubChem CID79497681
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCOc1ccc(N2C(N)=NCC23CCCN(C)CC3)cc1
InChIInChI=1S/C16H24N4O/c1-19-10-3-8-16(9-11-19)12-18-15(17)20(16)13-4-6-14(21-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H2,17,18)
InChIKeyFLSMNAKWITVILD-UHFFFAOYSA-N
XLogP1.68
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (CID 79497681) is 1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is COc1ccc(N2C(N)=NCC23CCCN(C)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is FLSMNAKWITVILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19-10-3-8-16(9-11-19)12-18-15(17)20(16)13-4-6-14(21-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H2,17,18).
What are the key properties of 1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 288.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79497681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).