1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine

C16H22BrN3 — CID 106664522

IUPAC1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC1CC(C)(C)CC12CN=C(N)N2c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3/c1-11-8-15(2,3)9-16(11)10-19-14(18)20(16)13-6-4-5-12(17)7-13/h4-7,11H,8-10H2,1-3H3,(H2,18,19)
InChIKeyIAQBSQJTOTZSOC-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.78
Rot. Bonds1

About 1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine

1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 106664522) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID106664522
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC1CC(C)(C)CC12CN=C(N)N2c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3/c1-11-8-15(2,3)9-16(11)10-19-14(18)20(16)13-6-4-5-12(17)7-13/h4-7,11H,8-10H2,1-3H3,(H2,18,19)
InChIKeyIAQBSQJTOTZSOC-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 106664522) is 1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine is CC1CC(C)(C)CC12CN=C(N)N2c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is IAQBSQJTOTZSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-11-8-15(2,3)9-16(11)10-19-14(18)20(16)13-6-4-5-12(17)7-13/h4-7,11H,8-10H2,1-3H3,(H2,18,19).
What are the key properties of 1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 336.28 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 106664522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).