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

C16H22ClN3 — CID 79505721

IUPAC1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC(C)CC2(CN=C(N)N2c2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN3/c1-11-7-12(2)9-16(8-11)10-19-15(18)20(16)14-6-4-3-5-13(14)17/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19)
InChIKeyRQYLZEFSXJBANK-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.67
Rot. Bonds1

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

1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505721) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505721
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC(C)CC2(CN=C(N)N2c2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN3/c1-11-7-12(2)9-16(8-11)10-19-15(18)20(16)14-6-4-3-5-13(14)17/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19)
InChIKeyRQYLZEFSXJBANK-UHFFFAOYSA-N
XLogP3.67
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79505721) is 1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1CC(C)CC2(CN=C(N)N2c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is RQYLZEFSXJBANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-11-7-12(2)9-16(8-11)10-19-15(18)20(16)14-6-4-3-5-13(14)17/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19).
What are the key properties of 1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 291.83 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).