5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine

C13H16ClN3 — CID 103565687

IUPAC5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCC1CC2(CN=C(N)N2c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClN3/c1-9-6-13(7-9)8-16-12(15)17(13)11-5-3-2-4-10(11)14/h2-5,9H,6-8H2,1H3,(H2,15,16)
InChIKeyRYKIGYNAEQJGOT-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.64
Rot. Bonds1

About 5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine

5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine (PubChem CID 103565687) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
PubChem CID103565687
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCC1CC2(CN=C(N)N2c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClN3/c1-9-6-13(7-9)8-16-12(15)17(13)11-5-3-2-4-10(11)14/h2-5,9H,6-8H2,1H3,(H2,15,16)
InChIKeyRYKIGYNAEQJGOT-UHFFFAOYSA-N
XLogP2.64
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505721
1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505349
1-(2-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505128
1-(2-chlorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874960
1-(2-chlorophenyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504751
1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504898
5-(4-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565712
7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499043
1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79500013
7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505403
1-(2-fluorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521117
1-(2-bromophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79515144

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The IUPAC name of 5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine (CID 103565687) is 5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The canonical SMILES for 5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine is CC1CC2(CN=C(N)N2c2ccccc2Cl)C1.
What is the InChIKey of 5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The InChIKey is RYKIGYNAEQJGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-6-13(7-9)8-16-12(15)17(13)11-5-3-2-4-10(11)14/h2-5,9H,6-8H2,1H3,(H2,15,16).
What are the key properties of 5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine?
5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine has a molecular weight of 249.75 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine is sourced from PubChem (CID 103565687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).