2-cyclohexyl-3H-isoindol-1-imine;hydrobromide

C14H19BrN2 — CID 118268286

IUPAC2-cyclohexyl-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1C1CCCCC1
InChIInChI=1S/C14H18N2.BrH/c15-14-13-9-5-4-6-11(13)10-16(14)12-7-2-1-3-8-12;/h4-6,9,12,15H,1-3,7-8,10H2;1H/b15-14+;
InChIKeyWRCNGEURQPXQGC-WPDLWGESSA-N
MW295.22 g/mol
LogP3.74
Rot. Bonds1

About 2-cyclohexyl-3H-isoindol-1-imine;hydrobromide

2-cyclohexyl-3H-isoindol-1-imine;hydrobromide (PubChem CID 118268286) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-cyclohexyl-3H-isoindol-1-imine;hydrobromide.

Molecular Properties

Compound Name2-cyclohexyl-3H-isoindol-1-imine;hydrobromide
PubChem CID118268286
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name2-cyclohexyl-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1C1CCCCC1
InChIInChI=1S/C14H18N2.BrH/c15-14-13-9-5-4-6-11(13)10-16(14)12-7-2-1-3-8-12;/h4-6,9,12,15H,1-3,7-8,10H2;1H/b15-14+;
InChIKeyWRCNGEURQPXQGC-WPDLWGESSA-N
XLogP3.74
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopentylmethyl)-3H-isoindol-1-imine
CID 43371148
2-(2-ethylcyclohexyl)-3H-isoindol-1-imine
CID 63534603
3-imino-1H-isoindol-2-amine
CID 13380975
2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide
CID 118268278
2-butyl-3H-isoindol-1-imine;hydrobromide
CID 118268275
6-fluoro-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-imine
CID 63291393
2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide
CID 44667451
2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine
CID 43200228
2-(3-imino-1H-isoindol-2-yl)phenol
CID 4006101
2-octadecyl-3H-isoindol-1-imine
CID 118268270
2-(3-methoxypropyl)-3H-isoindol-1-imine
CID 2978825
4-chloro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazolin-9-imine
CID 18992332

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3H-isoindol-1-imine;hydrobromide?
The IUPAC name of 2-cyclohexyl-3H-isoindol-1-imine;hydrobromide (CID 118268286) is 2-cyclohexyl-3H-isoindol-1-imine;hydrobromide.
What is the SMILES notation for 2-cyclohexyl-3H-isoindol-1-imine;hydrobromide?
The canonical SMILES for 2-cyclohexyl-3H-isoindol-1-imine;hydrobromide is Br.[H]/N=C1\c2ccccc2CN1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3H-isoindol-1-imine;hydrobromide?
The InChIKey is WRCNGEURQPXQGC-WPDLWGESSA-N. The full InChI is InChI=1S/C14H18N2.BrH/c15-14-13-9-5-4-6-11(13)10-16(14)12-7-2-1-3-8-12;/h4-6,9,12,15H,1-3,7-8,10H2;1H/b15-14+;.
What are the key properties of 2-cyclohexyl-3H-isoindol-1-imine;hydrobromide?
2-cyclohexyl-3H-isoindol-1-imine;hydrobromide has a molecular weight of 295.22 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3H-isoindol-1-imine;hydrobromide is sourced from PubChem (CID 118268286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).