1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C16H22ClN3 — CID 79504679

IUPAC1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CCCCC12CN=C(N)N2c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-2-12-6-3-4-9-16(12)11-19-15(18)20(16)14-8-5-7-13(17)10-14/h5,7-8,10,12H,2-4,6,9,11H2,1H3,(H2,18,19)
InChIKeyHYPOTCXRMJYCDV-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.81
Rot. Bonds2

About 1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79504679) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79504679
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CCCCC12CN=C(N)N2c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-2-12-6-3-4-9-16(12)11-19-15(18)20(16)14-8-5-7-13(17)10-14/h5,7-8,10,12H,2-4,6,9,11H2,1H3,(H2,18,19)
InChIKeyHYPOTCXRMJYCDV-UHFFFAOYSA-N
XLogP3.81
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-6-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505132
1-(3-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504905
6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498559
1-(3-chlorophenyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505809
1-(2-bromophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514624
1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
CID 79499811
1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine
CID 79504906
6-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514905
6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874965
1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79499185
1-(4-chlorophenyl)-9-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79520932
5-(2-chlorophenyl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79499638

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79504679) is 1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCC1CCCCC12CN=C(N)N2c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is HYPOTCXRMJYCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-2-12-6-3-4-9-16(12)11-19-15(18)20(16)14-8-5-7-13(17)10-14/h5,7-8,10,12H,2-4,6,9,11H2,1H3,(H2,18,19).
What are the key properties of 1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 291.83 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79504679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).