7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C16H23N3S — CID 79947415

IUPAC7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccccc1N1C(N)=NCC12CSCC(C)(C)C2
InChIInChI=1S/C16H23N3S/c1-12-6-4-5-7-13(12)19-14(17)18-9-16(19)8-15(2,3)10-20-11-16/h4-7H,8-11H2,1-3H3,(H2,17,18)
InChIKeyLRLUMFOJTYFWDM-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.03
Rot. Bonds1

About 7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79947415) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79947415
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccccc1N1C(N)=NCC12CSCC(C)(C)C2
InChIInChI=1S/C16H23N3S/c1-12-6-4-5-7-13(12)19-14(17)18-9-16(19)8-15(2,3)10-20-11-16/h4-7H,8-11H2,1-3H3,(H2,17,18)
InChIKeyLRLUMFOJTYFWDM-UHFFFAOYSA-N
XLogP3.03
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499043
1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505398
2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824919
7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505403
1-(2-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine
CID 79505397
5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 79500616
1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514719
5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 79505259
1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520584
5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 104654165
8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 80699619
1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504898

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79947415) is 7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is Cc1ccccc1N1C(N)=NCC12CSCC(C)(C)C2.
What is the InChIKey of 7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is LRLUMFOJTYFWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12-6-4-5-7-13(12)19-14(17)18-9-16(19)8-15(2,3)10-20-11-16/h4-7H,8-11H2,1-3H3,(H2,17,18).
What are the key properties of 7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79947415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).