4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium)

C42H54Br3N4OY3-3 — CID 158921830

IUPAC4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium)
SMILESBrc1c[c-]cc(Br)c1.CN(C)C1CC=C(c2c[c-]cc(Br)c2)CC1.CN(C)C1CC=C(c2c[c-]cc(N)c2)CC1.CN(C)C1CCC(=O)CC1.[Y].[Y].[Y]
InChIInChI=1S/C14H17BrN.C14H19N2.C8H15NO.C6H3Br2.3Y/c2*1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12;1-9(2)7-3-5-8(10)6-4-7;7-5-2-1-3-6(8)4-5;;;/h4-6,10,14H,7-9H2,1-2H3;4-6,10,14H,7-9,15H2,1-2H3;7H,3-6H2,1-2H3;2-4H;;;/q2*-1;;-1;;;
InChIKeyJLIHFJQJLBPGHX-UHFFFAOYSA-N
MW1137.35 g/mol
LogP10.38
Rot. Bonds5

About 4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium)

4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium) (PubChem CID 158921830) has the molecular formula C42H54Br3N4OY3-3 and a molecular weight of 1137.35 g/mol. Its IUPAC name is 4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium).

Molecular Properties

Compound Name4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium)
PubChem CID158921830
Molecular FormulaC42H54Br3N4OY3-3
Molecular Weight1137.35 g/mol
Exact Mass1133.90
IUPAC Name4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium)
SMILESBrc1c[c-]cc(Br)c1.CN(C)C1CC=C(c2c[c-]cc(Br)c2)CC1.CN(C)C1CC=C(c2c[c-]cc(N)c2)CC1.CN(C)C1CCC(=O)CC1.[Y].[Y].[Y]
InChIInChI=1S/C14H17BrN.C14H19N2.C8H15NO.C6H3Br2.3Y/c2*1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12;1-9(2)7-3-5-8(10)6-4-7;7-5-2-1-3-6(8)4-5;;;/h4-6,10,14H,7-9H2,1-2H3;4-6,10,14H,7-9,15H2,1-2H3;7H,3-6H2,1-2H3;2-4H;;;/q2*-1;;-1;;;
InChIKeyJLIHFJQJLBPGHX-UHFFFAOYSA-N
XLogP10.38
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.35
LogP ≤ 510.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium)?
The IUPAC name of 4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium) (CID 158921830) is 4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium).
What is the SMILES notation for 4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium)?
The canonical SMILES for 4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium) is Brc1c[c-]cc(Br)c1.CN(C)C1CC=C(c2c[c-]cc(Br)c2)CC1.CN(C)C1CC=C(c2c[c-]cc(N)c2)CC1.CN(C)C1CCC(=O)CC1.[Y].[Y].[Y].
What is the InChIKey of 4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium)?
The InChIKey is JLIHFJQJLBPGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN.C14H19N2.C8H15NO.C6H3Br2.3Y/c2*1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12;1-9(2)7-3-5-8(10)6-4-7;7-5-2-1-3-6(8)4-5;;;/h4-6,10,14H,7-9H2,1-2H3;4-6,10,14H,7-9,15H2,1-2H3;7H,3-6H2,1-2H3;2-4H;;;/q2*-1;;-1;;;.
What are the key properties of 4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium)?
4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium) has a molecular weight of 1137.35 g/mol, XLogP of 10.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromobenzene-5-id-1-yl)-N,N-dimethylcyclohex-3-en-1-amine;1,3-dibromobenzene-5-ide;4-(dimethylamino)cyclohexan-1-one;3-[4-(dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;tris(yttrium) is sourced from PubChem (CID 158921830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).