1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C16H22BrN3 — CID 79514411

IUPAC1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1(C)CCC2(CC1)CN=C(N)N2c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3/c1-15(2)6-8-16(9-7-15)11-19-14(18)20(16)13-5-3-4-12(17)10-13/h3-5,10H,6-9,11H2,1-2H3,(H2,18,19)
InChIKeySYNRUDYAFZCOKK-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.92
Rot. Bonds1

About 1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79514411) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79514411
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1(C)CCC2(CC1)CN=C(N)N2c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3/c1-15(2)6-8-16(9-7-15)11-19-14(18)20(16)13-5-3-4-12(17)10-13/h3-5,10H,6-9,11H2,1-2H3,(H2,18,19)
InChIKeySYNRUDYAFZCOKK-UHFFFAOYSA-N
XLogP3.92
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79514411) is 1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1(C)CCC2(CC1)CN=C(N)N2c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is SYNRUDYAFZCOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-15(2)6-8-16(9-7-15)11-19-14(18)20(16)13-5-3-4-12(17)10-13/h3-5,10H,6-9,11H2,1-2H3,(H2,18,19).
What are the key properties of 1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 336.28 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79514411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).