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

C16H23N3 — CID 79505403

IUPAC7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccccc1N1C(N)=NCC12CCCC(C)C2
InChIInChI=1S/C16H23N3/c1-12-6-5-9-16(10-12)11-18-15(17)19(16)14-8-4-3-7-13(14)2/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,17,18)
InChIKeyNZUFDKHSKVQIEV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.08
Rot. Bonds1

About 7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505403) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505403
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccccc1N1C(N)=NCC12CCCC(C)C2
InChIInChI=1S/C16H23N3/c1-12-6-5-9-16(10-12)11-18-15(17)19(16)14-8-4-3-7-13(14)2/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,17,18)
InChIKeyNZUFDKHSKVQIEV-UHFFFAOYSA-N
XLogP3.08
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79505403) is 7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is Cc1ccccc1N1C(N)=NCC12CCCC(C)C2.
What is the InChIKey of 7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is NZUFDKHSKVQIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-6-5-9-16(10-12)11-18-15(17)19(16)14-8-4-3-7-13(14)2/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,17,18).
What are the key properties of 7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).