1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H21N3 — CID 79505673

IUPAC1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1cccc(N2C(N)=NCC23CCCCC3)c1
InChIInChI=1S/C15H21N3/c1-12-6-5-7-13(10-12)18-14(16)17-11-15(18)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,17)
InChIKeyDKFKEYIPGWPBLU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.83
Rot. Bonds1

About 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505673) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505673
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1cccc(N2C(N)=NCC23CCCCC3)c1
InChIInChI=1S/C15H21N3/c1-12-6-5-7-13(10-12)18-14(16)17-11-15(18)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,17)
InChIKeyDKFKEYIPGWPBLU-UHFFFAOYSA-N
XLogP2.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79504845
8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79500137
1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
CID 79500130
1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79514881
1-(3-methylphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79505067
1-(3-bromophenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514184
1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504947
6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874965
1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79521444
1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79502758
5-methyl-1-(3-methylphenyl)-5-(4-methylphenyl)-4H-imidazol-2-amine
CID 79500241
1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine
CID 79504838

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79505673) is 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is Cc1cccc(N2C(N)=NCC23CCCCC3)c1.
What is the InChIKey of 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is DKFKEYIPGWPBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-6-5-7-13(10-12)18-14(16)17-11-15(18)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H2,16,17).
What are the key properties of 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).