(4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium

C18H26BrN2O+ — CID 8539354

IUPAC(4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCCC1=CCCCC1)Cc1ccc(Br)cc1
InChIInChI=1S/C18H25BrN2O/c1-21(13-16-7-9-17(19)10-8-16)14-18(22)20-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-14H2,1H3,(H,20,22)/p+1
InChIKeyQDPWICRQVGMKSZ-UHFFFAOYSA-O
MW366.32 g/mol
LogP2.47
Rot. Bonds7

About (4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium

(4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium (PubChem CID 8539354) has the molecular formula C18H26BrN2O+ and a molecular weight of 366.32 g/mol. Its IUPAC name is (4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium
PubChem CID8539354
Molecular FormulaC18H26BrN2O+
Molecular Weight366.32 g/mol
Exact Mass365.12
IUPAC Name(4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCCC1=CCCCC1)Cc1ccc(Br)cc1
InChIInChI=1S/C18H25BrN2O/c1-21(13-16-7-9-17(19)10-8-16)14-18(22)20-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-14H2,1H3,(H,20,22)/p+1
InChIKeyQDPWICRQVGMKSZ-UHFFFAOYSA-O
XLogP2.47
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024591
2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 126139073
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
2-[(4R)-4-(4-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 27044420
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 55392642
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
CID 108942962
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-methylazanium
CID 8994912
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of (4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium (CID 8539354) is (4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NCCC1=CCCCC1)Cc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium?
The InChIKey is QDPWICRQVGMKSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25BrN2O/c1-21(13-16-7-9-17(19)10-8-16)14-18(22)20-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-14H2,1H3,(H,20,22)/p+1.
What are the key properties of (4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium?
(4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium has a molecular weight of 366.32 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8539354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).