8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine

C17H25N3 — CID 79504845

IUPAC8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCc1cccc(N2C(N)=NCC23CCCC(C)CC3)c1
InChIInChI=1S/C17H25N3/c1-13-6-4-9-17(10-8-13)12-19-16(18)20(17)15-7-3-5-14(2)11-15/h3,5,7,11,13H,4,6,8-10,12H2,1-2H3,(H2,18,19)
InChIKeyNIVYVHKAOZLNJR-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.47
Rot. Bonds1

About 8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine

8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79504845) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79504845
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCc1cccc(N2C(N)=NCC23CCCC(C)CC3)c1
InChIInChI=1S/C17H25N3/c1-13-6-4-9-17(10-8-13)12-19-16(18)20(17)15-7-3-5-14(2)11-15/h3,5,7,11,13H,4,6,8-10,12H2,1-2H3,(H2,18,19)
InChIKeyNIVYVHKAOZLNJR-UHFFFAOYSA-N
XLogP3.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79504845) is 8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine is Cc1cccc(N2C(N)=NCC23CCCC(C)CC3)c1.
What is the InChIKey of 8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is NIVYVHKAOZLNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13-6-4-9-17(10-8-13)12-19-16(18)20(17)15-7-3-5-14(2)11-15/h3,5,7,11,13H,4,6,8-10,12H2,1-2H3,(H2,18,19).
What are the key properties of 8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79504845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).